Evaluation in machine learning is usually informed by past choices, for example which datasets or metrics to use. This standardization enables the comparison on equal footing using leaderboards, but the evaluation choices become sub-optimal as better alternatives arise. This problem is especially pertinent in natural language generation which requires ever-improving suites of datasets, metrics, and human evaluation to make definitive claims. To make following best model evaluation practices easier, we introduce GEMv2. The new version of the Generation, Evaluation, and Metrics Benchmark introduces a modular infrastructure for dataset, model, and metric developers to benefit from each others work. GEMv2 supports 40 documented datasets in 51 languages. Models for all datasets can be evaluated online and our interactive data card creation and rendering tools make it easier to add new datasets to the living benchmark.  ( 3 min )

Feed-forward neural networks (FNNs) work as standard building blocks in applying artificial intelligence (AI) to the physical world. They allow learning the dynamics of unknown physical systems (e.g., biological and chemical) {to predict their future behavior}. However, they are likely to violate the physical constraints of those systems without proper treatment. This work focuses on imposing two important physical constraints: monotonicity (i.e., a partial order of system states is preserved over time) and stability (i.e., the system states converge over time) when using FNNs to learn physical dynamics. For monotonicity constraints, we propose to use nonnegative neural networks and batch normalization. For both monotonicity and stability constraints, we propose to learn the system dynamics and corresponding Lyapunov function simultaneously. As demonstrated by case studies, our methods can preserve the stability and monotonicity of FNNs and significantly reduce their prediction errors.  ( 2 min )

How to quickly and automatically mine effective information and serve investment decisions has attracted more and more attention from academia and industry. And new challenges have been raised with the global pandemic. This paper proposes a two-phase AlphaMLDigger that effectively finds excessive returns in the highly fluctuated market. In phase 1, a deep sequential NLP model is proposed to transfer blogs on Sina Microblog to market sentiment. In phase 2, the predicted market sentiment is combined with social network indicator features and stock market history features to predict the stock movements with different Machine Learning models and optimizers. The results show that our AlphaMLDigger achieves higher accuracy in the test set than previous works and is robust to the negative impact of COVID-19 to some extent.  ( 2 min )

We consider the problem of controlling an unknown linear dynamical system under a stochastic convex cost and full feedback of both the state and cost function. We present a computationally efficient algorithm that attains an optimal $\sqrt{T}$ regret-rate compared to the best stabilizing linear controller in hindsight. In contrast to previous work, our algorithm is based on the Optimism in the Face of Uncertainty paradigm. This results in a substantially improved computational complexity and a simpler analysis.  ( 2 min )

Despite the myriad peer-reviewed papers demonstrating novel Artificial Intelligence (AI)-based solutions to COVID-19 challenges during the pandemic, few have made significant clinical impact. The impact of artificial intelligence during the COVID-19 pandemic was greatly limited by lack of model transparency. This systematic review examines the use of Explainable Artificial Intelligence (XAI) during the pandemic and how its use could overcome barriers to real-world success. We find that successful use of XAI can improve model performance, instill trust in the end-user, and provide the value needed to affect user decision-making. We introduce the reader to common XAI techniques, their utility, and specific examples of their application. Evaluation of XAI results is also discussed as an important step to maximize the value of AI-based clinical decision support systems. We illustrate the classical, modern, and potential future trends of XAI to elucidate the evolution of novel XAI techniques. Finally, we provide a checklist of suggestions during the experimental design process supported by recent publications. Common challenges during the implementation of AI solutions are also addressed with specific examples of potential solutions. We hope this review may serve as a guide to improve the clinical impact of future AI-based solutions.  ( 3 min )

Latent world models allow agents to reason about complex environments with high-dimensional observations. However, adapting to new environments and effectively leveraging previous knowledge remain significant challenges. We present variational causal dynamics (VCD), a structured world model that exploits the invariance of causal mechanisms across environments to achieve fast and modular adaptation. By causally factorising a transition model, VCD is able to identify reusable components across different environments. This is achieved by combining causal discovery and variational inference to learn a latent representation and transition model jointly in an unsupervised manner. Specifically, we optimise the evidence lower bound jointly over a representation model and a transition model structured as a causal graphical model. In evaluations on simulated environments with state and image observations, we show that VCD is able to successfully identify causal variables, and to discover consistent causal structures across different environments. Moreover, given a small number of observations in a previously unseen, intervened environment, VCD is able to identify the sparse changes in the dynamics and to adapt efficiently. In doing so, VCD significantly extends the capabilities of the current state-of-the-art in latent world models while also comparing favourably in terms of prediction accuracy.  ( 2 min )

Graphs are present in many real-world applications, such as financial fraud detection, commercial recommendation, and social network analysis. But given the high cost of graph annotation or labeling, we face a severe graph label-scarcity problem, i.e., a graph might have a few labeled nodes. One example of such a problem is the so-called \textit{few-shot node classification}. A predominant approach to this problem resorts to \textit{episodic meta-learning}. In this work, we challenge the status quo by asking a fundamental question whether meta-learning is a must for few-shot node classification tasks. We propose a new and simple framework under the standard few-shot node classification setting as an alternative to meta-learning to learn an effective graph encoder. The framework consists of supervised graph contrastive learning with novel mechanisms for data augmentation, subgraph encoding, and multi-scale contrast on graphs. Extensive experiments on three benchmark datasets (CoraFull, Reddit, Ogbn) show that the new framework significantly outperforms state-of-the-art meta-learning based methods.  ( 2 min )

Graph convolutional networks are becoming indispensable for deep learning from graph-structured data. Most of the existing graph convolutional networks share two big shortcomings. First, they are essentially low-pass filters, thus the potentially useful middle and high frequency band of graph signals are ignored. Second, the bandwidth of existing graph convolutional filters is fixed. Parameters of a graph convolutional filter only transform the graph inputs without changing the curvature of a graph convolutional filter function. In reality, we are uncertain about whether we should retain or cut off the frequency at a certain point unless we have expert domain knowledge. In this paper, we propose Automatic Graph Convolutional Networks (AutoGCN) to capture the full spectrum of graph signals and automatically update the bandwidth of graph convolutional filters. While it is based on graph spectral theory, our AutoGCN is also localized in space and has a spatial form. Experimental results show that AutoGCN achieves significant improvement over baseline methods which only work as low-pass filters.  ( 2 min )

The modeling and uncertainty quantification of closed curves is an important problem in the field of shape analysis, and can have significant ramifications for subsequent statistical tasks. Many of these tasks involve collections of closed curves, which often exhibit structural similarities at multiple levels. Modeling multiple closed curves in a way that efficiently incorporates such between-curve dependence remains a challenging problem. In this work, we propose and investigate a multiple-output (a.k.a. multi-output), multi-dimensional Gaussian process modeling framework. We illustrate the proposed methodological advances, and demonstrate the utility of meaningful uncertainty quantification, on several curve and shape-related tasks. This model-based approach not only addresses the problem of inference on closed curves (and their shapes) with kernel constructions, but also opens doors to nonparametric modeling of multi-level dependence for functional objects in general.  ( 2 min )

Large convolutional neural networks (CNN) can be difficult to train in the differentially private (DP) regime, since the optimization algorithms require a computationally expensive operation, known as the per-sample gradient clipping. We propose an efficient and scalable implementation of this clipping on convolutional layers, termed as the mixed ghost clipping, that significantly eases the private training in terms of both time and space complexities, without affecting the accuracy. The improvement in efficiency is rigorously studied through the first complexity analysis for the mixed ghost clipping and existing DP training algorithms. Extensive experiments on vision classification tasks, with large ResNet, VGG, and Vision Transformers, demonstrate that DP training with mixed ghost clipping adds $1\sim 10\%$ memory overhead and $<2\times$ slowdown to the standard non-private training. Specifically, when training VGG19 on CIFAR10, the mixed ghost clipping is $3\times$ faster than state-of-the-art Opacus library with $18\times$ larger maximum batch size. To emphasize the significance of efficient DP training on convolutional layers, we achieve 96.7\% accuracy on CIFAR10 and 83.0\% on CIFAR100 at $\epsilon=1$ using BEiT, while the previous best results are 94.8\% and 67.4\%, respectively. We open-source a privacy engine (\url{https://github.com/JialinMao/private_CNN}) that implements DP training of CNN with a few lines of code.  ( 2 min )

Machine learning models trained on private datasets have been shown to leak their private data. While recent work has found that the average data point is rarely leaked, the outlier samples are frequently subject to memorization and, consequently, privacy leakage. We demonstrate and analyse an Onion Effect of memorization: removing the "layer" of outlier points that are most vulnerable to a privacy attack exposes a new layer of previously-safe points to the same attack. We perform several experiments to study this effect, and understand why it occurs. The existence of this effect has various consequences. For example, it suggests that proposals to defend against memorization without training with rigorous privacy guarantees are unlikely to be effective. Further, it suggests that privacy-enhancing technologies such as machine unlearning could actually harm the privacy of other users.  ( 2 min )

We study the problem of Out-of-Distribution (OOD) detection, that is, detecting whether a learning algorithm's output can be trusted at inference time. While a number of tests for OOD detection have been proposed in prior work, a formal framework for studying this problem is lacking. We propose a definition for the notion of OOD that includes both the input distribution and the learning algorithm, which provides insights for the construction of powerful tests for OOD detection. We propose a multiple hypothesis testing inspired procedure to systematically combine any number of different statistics from the learning algorithm using conformal p-values. We further provide strong guarantees on the probability of incorrectly classifying an in-distribution sample as OOD. In our experiments, we find that threshold-based tests proposed in prior work perform well in specific settings, but not uniformly well across different types of OOD instances. In contrast, our proposed method that combines multiple statistics performs uniformly well across different datasets and neural networks.  ( 2 min )

We propose the Bayes-UCBVI algorithm for reinforcement learning in tabular, stage-dependent, episodic Markov decision process: a natural extension of the Bayes-UCB algorithm by Kaufmann et al. (2012) for multi-armed bandits. Our method uses the quantile of a Q-value function posterior as upper confidence bound on the optimal Q-value function. For Bayes-UCBVI, we prove a regret bound of order $\widetilde{O}(\sqrt{H^3SAT})$ where $H$ is the length of one episode, $S$ is the number of states, $A$ the number of actions, $T$ the number of episodes, that matches the lower-bound of $\Omega(\sqrt{H^3SAT})$ up to poly-$\log$ terms in $H,S,A,T$ for a large enough $T$. To the best of our knowledge, this is the first algorithm that obtains an optimal dependence on the horizon $H$ (and $S$) without the need for an involved Bernstein-like bonus or noise. Crucial to our analysis is a new fine-grained anti-concentration bound for a weighted Dirichlet sum that can be of independent interest. We then explain how Bayes-UCBVI can be easily extended beyond the tabular setting, exhibiting a strong link between our algorithm and Bayesian bootstrap (Rubin, 1981).  ( 2 min )

Extracting information on fluid motion directly from images is challenging. Fluid flow represents a complex dynamic system governed by the Navier-Stokes equations. General optical flow methods are typically designed for rigid body motion, and thus struggle if applied to fluid motion estimation directly. Further, optical flow methods only focus on two consecutive frames without utilising historical temporal information, while the fluid motion (velocity field) can be considered a continuous trajectory constrained by time-dependent partial differential equations (PDEs). This discrepancy has the potential to induce physically inconsistent estimations. Here we propose an unsupervised learning based prediction-correction scheme for fluid flow estimation. An estimate is first given by a PDE-constrained optical flow predictor, which is then refined by a physical based corrector. The proposed approach outperforms optical flow methods and shows competitive results compared to existing supervised learning based methods on a benchmark dataset. Furthermore, the proposed approach can generalize to complex real-world fluid scenarios where ground truth information is effectively unknowable. Finally, experiments demonstrate that the physical corrector can refine flow estimates by mimicking the operator splitting method commonly utilised in fluid dynamical simulation.  ( 2 min )

Information extraction from semi-structured documents is crucial for frictionless business-to-business (B2B) communication. While machine learning problems related to Document Information Extraction (IE) have been studied for decades, many common problem definitions and benchmarks do not reflect domain-specific aspects and practical needs for automating B2B document communication. We review the landscape of Document IE problems, datasets and benchmarks. We highlight the practical aspects missing in the common definitions and define the Key Information Localization and Extraction (KILE) and Line Item Recognition (LIR) problems. There is a lack of relevant datasets and benchmarks for Document IE on semi-structured business documents as their content is typically legally protected or sensitive. We discuss potential sources of available documents including synthetic data.  ( 2 min )

Federated learning (FL) has recently gained considerable attention due to its ability to use decentralised data while preserving privacy. However, it also poses additional challenges related to the heterogeneity of the participating devices, both in terms of their computational capabilities and contributed data. Meanwhile, Neural Architecture Search (NAS) has been successfully used with centralised datasets, producing state-of-the-art results in constrained (hardware-aware) and unconstrained settings. However, even the most recent work laying at the intersection of NAS and FL assumes homogeneous compute environment with datacenter-grade hardware and does not address the issues of working with constrained, heterogeneous devices. As a result, practical usage of NAS in a federated setting remains an open problem that we address in our work. We design our system, FedorAS, to discover and train promising architectures when dealing with devices of varying capabilities holding non-IID distributed data, and present empirical evidence of its effectiveness across different settings. Specifically, we evaluate FedorAS across datasets spanning three different modalities (vision, speech, text) and show its better performance compared to state-of-the-art federated solutions, while maintaining resource efficiency.  ( 2 min )

Gaussian Graphical Models (GGMs) are widely used for exploratory data analysis in various fields such as genomics, ecology, psychometry. In a high-dimensional setting, when the number of variables exceeds the number of observations by several orders of magnitude, the estimation of GGM is a difficult and unstable optimization problem. Clustering of variables or variable selection is often performed prior to GGM estimation. We propose a new method allowing to simultaneously infer a hierarchical clustering structure and the graphs describing the structure of independence at each level of the hierarchy. This method is based on solving a convex optimization problem combining a graphical lasso penalty with a fused type lasso penalty. Results on real and synthetic data are presented.  ( 2 min )

We present a fairly general framework for reducing $(\varepsilon, \delta)$ differentially private (DP) statistical estimation to its non-private counterpart. As the main application of this framework, we give a polynomial time and $(\varepsilon,\delta)$-DP algorithm for learning (unrestricted) Gaussian distributions in $\mathbb{R}^d$. The sample complexity of our approach for learning the Gaussian up to total variation distance $\alpha$ is $\widetilde{O}(d^2/\alpha^2 + d^2\sqrt{\ln(1/\delta)}/\alpha \varepsilon + d\ln(1/\delta) / \alpha \varepsilon)$ matching (up to logarithmic factors) the best known information-theoretic (non-efficient) sample complexity upper bound due to Aden-Ali, Ashtiani, and Kamath (ALT'21). In an independent work, Kamath, Mouzakis, Singhal, Steinke, and Ullman (arXiv:2111.04609) proved a similar result using a different approach and with $O(d^{5/2})$ sample complexity dependence on $d$. As another application of our framework, we provide the first polynomial time $(\varepsilon, \delta)$-DP algorithm for robust learning of (unrestricted) Gaussians with sample complexity $\widetilde{O}(d^{3.5})$. In another independent work, Kothari, Manurangsi, and Velingker (arXiv:2112.03548) also provided a polynomial time $(\varepsilon, \delta)$-DP algorithm for robust learning of Gaussians with sample complexity $\widetilde{O}(d^8)$.  ( 2 min )

Visual systems of primates are the gold standard of robust perception. There is thus a general belief that mimicking the neural representations that underlie those systems will yield artificial visual systems that are adversarially robust. In this work, we develop a method for performing adversarial visual attacks directly on primate brain activity. We then leverage this method to demonstrate that the above-mentioned belief might not be well founded. Specifically, we report that the biological neurons that make up visual systems of primates exhibit susceptibility to adversarial perturbations that is comparable in magnitude to existing (robustly trained) artificial neural networks.  ( 2 min )

Artificial intelligence (AI) has the potential to greatly improve society, but as with any powerful technology, it comes with heightened risks and responsibilities. Current AI research lacks a systematic discussion of how to manage long-tail risks from AI systems, including speculative long-term risks. Keeping in mind the potential benefits of AI, there is some concern that building ever more intelligent and powerful AI systems could eventually result in systems that are more powerful than us; some say this is like playing with fire and speculate that this could create existential risks (x-risks). To add precision and ground these discussions, we provide a guide for how to analyze AI x-risk, which consists of three parts: First, we review how systems can be made safer today, drawing on time-tested concepts from hazard analysis and systems safety that have been designed to steer large processes in safer directions. Next, we discuss strategies for having long-term impacts on the safety of future systems. Finally, we discuss a crucial concept in making AI systems safer by improving the balance between safety and general capabilities. We hope this document and the presented concepts and tools serve as a useful guide for understanding how to analyze AI x-risk.

This is an introductory machine-learning course specifically developed with STEM students in mind. Our goal is to provide the interested reader with the basics to employ machine learning in their own projects and to familiarize themself with the terminology as a foundation for further reading of the relevant literature. In these lecture notes, we discuss supervised, unsupervised, and reinforcement learning. The notes start with an exposition of machine learning methods without neural networks, such as principle component analysis, t-SNE, clustering, as well as linear regression and linear classifiers. We continue with an introduction to both basic and advanced neural-network structures such as dense feed-forward and conventional neural networks, recurrent neural networks, restricted Boltzmann machines, (variational) autoencoders, generative adversarial networks. Questions of interpretability are discussed for latent-space representations and using the examples of dreaming and adversarial attacks. The final section is dedicated to reinforcement learning, where we introduce basic notions of value functions and policy learning.

Large information sizes in samples and features can be encoded to speed up the learning of statistical models based on linear algebra and remove unwanted signals. Encoding information can reduce both sample and feature dimension to a smaller representational set. Here two examples are shown on linear mixed models and mixture models speeding up the run time for parameter estimation by a factor defined by the user's choice on dimension reduction (can be linear, quadratic or beyond based on dimension specification).

Tensors, which provide a powerful and flexible model for representing multi-attribute data and multi-way interactions, play an indispensable role in modern data science across various fields in science and engineering. A fundamental task is to faithfully recover the tensor from highly incomplete measurements in a statistically and computationally efficient manner. Harnessing the low-rank structure of tensors in the Tucker decomposition, this paper develops a scaled gradient descent (ScaledGD) algorithm to directly recover the tensor factors with tailored spectral initializations, and shows that it provably converges at a linear rate independent of the condition number of the ground truth tensor for two canonical problems -- tensor completion and tensor regression -- as soon as the sample size is above the order of $n^{3/2}$ ignoring other parameter dependencies, where $n$ is the dimension of the tensor. This leads to an extremely scalable approach to low-rank tensor estimation compared with prior art, which suffers from at least one of the following drawbacks: extreme sensitivity to ill-conditioning, high per-iteration costs in terms of memory and computation, or poor sample complexity guarantees. To the best of our knowledge, ScaledGD is the first algorithm that achieves near-optimal statistical and computational complexities simultaneously for low-rank tensor completion with the Tucker decomposition. Our algorithm highlights the power of appropriate preconditioning in accelerating nonconvex statistical estimation, where the iteration-varying preconditioners promote desirable invariance properties of the trajectory with respect to the underlying symmetry in low-rank tensor factorization.

The low rank MDP has emerged as an important model for studying representation learning and exploration in reinforcement learning. With a known representation, several model-free exploration strategies exist. In contrast, all algorithms for the unknown representation setting are model-based, thereby requiring the ability to model the full dynamics. In this work, we present the first model-free representation learning algorithms for low rank MDPs. The key algorithmic contribution is a new minimax representation learning objective, for which we provide variants with differing tradeoffs in their statistical and computational properties. We interleave this representation learning step with an exploration strategy to cover the state space in a reward-free manner. The resulting algorithms are provably sample efficient and can accommodate general function approximation to scale to complex environments.

This paper studies the learning of linear operators between infinite-dimensional Hilbert spaces. The training data comprises pairs of random input vectors in a Hilbert space and their noisy images under an unknown self-adjoint linear operator. Assuming that the operator is diagonalizable in a known basis, this work solves the equivalent inverse problem of estimating the operator's eigenvalues given the data. Adopting a Bayesian approach, the theoretical analysis establishes posterior contraction rates in the infinite data limit with Gaussian priors that are not directly linked to the forward map of the inverse problem. The main results also include learning-theoretic generalization error guarantees for a wide range of distribution shifts. These convergence rates quantify the effects of data smoothness and true eigenvalue decay or growth, for compact or unbounded operators, respectively, on sample complexity. Numerical evidence supports the theory in diagonal and non-diagonal settings.

We propose a novel nonparametric two-sample test based on the Maximum Mean Discrepancy (MMD), which is constructed by aggregating tests with different kernel bandwidths. This aggregation procedure, called MMDAgg, ensures that test power is maximised over the collection of kernels used, without requiring held-out data for kernel selection (which results in a loss of test power), or arbitrary kernel choices such as the median heuristic. We work in the non-asymptotic framework, and prove that our aggregated test is minimax adaptive over Sobolev balls. Our guarantees are not restricted to a specific kernel, but hold for any product of one-dimensional translation invariant characteristic kernels which are absolutely and square integrable. Moreover, our results apply for popular numerical procedures to determine the test threshold, namely permutations and the wild bootstrap. Through numerical experiments on both synthetic and real-world datasets, we demonstrate that MMDAgg outperforms alternative state-of-the-art approaches to MMD kernel adaptation for two-sample testing.

We show that neural networks with access to randomness can outperform deterministic networks by using amplification. We call such networks Coin-Flipping Neural Networks, or CFNNs. We show that a CFNN can approximate the indicator of a $d$-dimensional ball to arbitrary accuracy with only 2 layers and $\mathcal{O}(1)$ neurons, where a 2-layer deterministic network was shown to require $\Omega(e^d)$ neurons, an exponential improvement (arXiv:1610.09887). We prove a highly non-trivial result, that for almost any classification problem, there exists a trivially simple network that solves it given a sufficiently powerful generator for the network's weights. Combining these results we conjecture that for most classification problems, there is a CFNN which solves them with higher accuracy or fewer neurons than any deterministic network. Finally, we verify our proofs experimentally using novel CFNN architectures on CIFAR10 and CIFAR100, reaching an improvement of 9.25\% from the baseline.

Autism spectrum disorder (ASD) is a brain condition characterized by diverse signs and symptoms that appear in early childhood. ASD is also associated with communication deficits and repetitive behavior in affected individuals. Various ASD detection methods have been developed, including neuroimaging modalities and psychological tests. Among these methods, magnetic resonance imaging (MRI) imaging modalities are of paramount importance to physicians. Clinicians rely on MRI modalities to diagnose ASD accurately. The MRI modalities are non-invasive methods that include functional (fMRI) and structural (sMRI) neuroimaging methods. However, the process of diagnosing ASD with fMRI and sMRI for specialists is often laborious and time-consuming; therefore, several computer-aided design systems (CADS) based on artificial intelligence (AI) have been developed to assist the specialist physicians. Conventional machine learning (ML) and deep learning (DL) are the most popular schemes of AI used for diagnosing ASD. This study aims to review the automated detection of ASD using AI. We review several CADS that have been developed using ML techniques for the automated diagnosis of ASD using MRI modalities. There has been very limited work on the use of DL techniques to develop automated diagnostic models for ASD. A summary of the studies developed using DL is provided in the appendix. Then, the challenges encountered during the automated diagnosis of ASD using MRI and AI techniques are described in detail. Additionally, a graphical comparison of studies using ML and DL to diagnose ASD automatically is discussed. We conclude by suggesting future approaches to detecting ASDs using AI techniques and MRI neuroimaging.

The cancer prognosis on gigapixel Whole-Slide Images (WSIs) has always been a challenging task. Most existing approaches focus solely on single-resolution images. The multi-resolution schemes, utilizing image pyramids to enhance WSI visual representations, have not yet been paid enough attention to. In order to explore a multi-resolution solution for improving cancer prognosis accuracy, this paper proposes a dual-stream architecture to model WSIs by an image pyramid strategy. This architecture consists of two sub-streams: one for low-resolution WSIs, and the other especially for high-resolution ones. Compared to other approaches, our scheme has three highlights: (i) there exists a one-to-one relation between stream and resolution; (ii) a square pooling layer is added to align the patches from two resolution streams, largely reducing computation cost and enabling a natural stream feature fusion; (iii) a cross-attention-based method is proposed to pool high-resolution patches spatially under the guidance of low-resolution ones. We validate our scheme on three publicly-available datasets with a total number of 3,101 WSIs from 1,911 patients. Experimental results verify that (i) hierarchical dual-stream representation is more effective than single-stream ones for cancer prognosis, gaining an average C-Index rise of 5.0% and 1.8% on a single low-resolution and high-resolution stream, respectively; (ii) our dual-stream scheme could outperform current state-of-the-art ones, by an average C-Index improvement of 5.1%; (iii) the cancer diseases with observable survival differences could have different preferences for model complexity. Our scheme could serve as an alternative tool for further facilitating WSI prognosis research.

It is known that Deep Neural networks (DNNs) are vulnerable to adversarial attacks, and the adversarial robustness of DNNs could be improved by adding adversarial noises to training data (e.g., the standard adversarial training (SAT)). However, inappropriate noises added to training data may reduce a model's performance, which is termed the trade-off between accuracy and robustness. This problem has been sufficiently studied for the classification of whole images but has rarely been explored for image analysis tasks in the medical application domain, including image segmentation, landmark detection, and object detection tasks. In this study, we show that, for those medical image analysis tasks, the SAT method has a severe issue that limits its practical use: it generates a fixed and unified level of noise for all training samples for robust DNN training. A high noise level may lead to a large reduction in model performance and a low noise level may not be effective in improving robustness. To resolve this issue, we design an adaptive-margin adversarial training (AMAT) method that generates sample-wise adaptive adversarial noises for robust DNN training. In contrast to the existing, classification-oriented adversarial training methods, our AMAT method uses a loss-defined-margin strategy so that it can be applied to different tasks as long as the loss functions are well-defined. We successfully apply our AMAT method to state-of-the-art DNNs, using five publicly available datasets. The experimental results demonstrate that: (1) our AMAT method can be applied to the three seemingly different tasks in the medical image application domain; (2) AMAT outperforms the SAT method in adversarial robustness; (3) AMAT has a minimal reduction in prediction accuracy on clean data, compared with the SAT method; and (4) AMAT has almost the same training time cost as SAT.

With accurate and timely traffic forecasting, the impacted traffic conditions can be predicted in advance to guide agencies and residents to respond to changes in traffic patterns appropriately. However, existing works on traffic forecasting mainly relied on historical traffic patterns confining to short-term prediction, under 1 hour, for instance. To better manage future roadway capacity and accommodate social and human impacts, it is crucial to propose a flexible and comprehensive framework to predict physical-aware long-term traffic conditions for public users and transportation agencies. In this paper, the gap of robust long-term traffic forecasting was bridged by taking social media features into consideration. A correlation study and a linear regression model were first implemented to evaluate the significance of the correlation between two time-series data, traffic intensity and Twitter data intensity. Two time-series data were then fed into our proposed social-aware framework, Traffic-Twitter Transformer, which integrated Nature Language representations into time-series records for long-term traffic prediction. Experimental results in the Great Seattle Area showed that our proposed model outperformed baseline models in all evaluation matrices. This NLP-joined social-aware framework can become a valuable implement of network-wide traffic prediction and management for traffic agencies.

Estimating and reacting to external disturbances is crucial for robust flight control of quadrotors. Existing estimators typically require significant tuning for a specific flight scenario or training with extensive real-world data to achieve satisfactory performance. In this paper, we propose a neural moving horizon estimator (NeuroMHE) that can automatically tune the MHE parameters modeled by a neural network and adapt to different flight scenarios. We achieve this by deriving the analytical gradient of the MHE estimates with respect to the tunable parameters, enabling a seamless embedding of MHE as a layer into the neural network for highly effective learning. Most interestingly, we show that the gradient can be solved efficiently from a Kalman filter in a recursive form. Moreover, we develop a model-based policy gradient algorithm to train NeuroMHE directly from the trajectory tracking error without the need for the ground-truth disturbance. The effectiveness of NeuroMHE is verified extensively via both simulations and physical experiments on a quadrotor in various challenging flights. Notably, NeuroMHE outperforms the state-of-the-art estimator with force estimation error reductions of up to 49.4% by using only a 2.5% amount of parameters. The proposed method is general and can be applied to robust adaptive control for other robotic systems.

Constrained random test generation is one of the most widely adopted methods for generating stimuli for simulation-based verification. Randomness leads to test diversity, but tests tend to repeatedly exercise the same design logic. Constraints are written (typically manually) to bias random tests towards interesting, hard-to-reach, and yet-untested logic. However, as verification progresses, most constrained random tests yield little to no effect on functional coverage. If stimuli generation consumes significantly less resources than simulation, then a better approach involves randomly generating a large number of tests, selecting the most effective subset, and only simulating that subset. In this paper, we introduce a novel method for automatic constraint extraction and test selection. This method, which we call coverage-directed test selection, is based on supervised learning from coverage feedback. Our method biases selection towards tests that have a high probability of increasing functional coverage, and prioritises them for simulation. We show how coverage-directed test selection can reduce manual constraint writing, prioritise effective tests, reduce verification resource consumption, and accelerate coverage closure on a large, real-life industrial hardware design.

Optimal control problems naturally arise in many scientific applications where one wishes to steer a dynamical system from a certain initial state $\mathbf{x}_0$ to a desired target state $\mathbf{x}^*$ in finite time $T$. Recent advances in deep learning and neural network-based optimization have contributed to the development of methods that can help solve control problems involving high-dimensional dynamical systems. In particular, the framework of neural ordinary differential equations (neural ODEs) provides an efficient means to iteratively approximate continuous time control functions associated with analytically intractable and computationally demanding control tasks. Although neural ODE controllers have shown great potential in solving complex control problems, the understanding of the effects of hyperparameters such as network structure and optimizers on learning performance is still very limited. Our work aims at addressing some of these knowledge gaps to conduct efficient hyperparameter optimization. To this end, we first analyze how truncated and non-truncated backpropagation through time affect runtime performance and the ability of neural networks to learn optimal control functions. Using analytical and numerical methods, we then study the role of parameter initializations, optimizers, and neural-network architecture. Finally, we connect our results to the ability of neural ODE controllers to implicitly regularize control energy.  ( 2 min )

While behavior learning has made impressive progress in recent times, it lags behind computer vision and natural language processing due to its inability to leverage large, human-generated datasets. Human behaviors have wide variance, multiple modes, and human demonstrations typically do not come with reward labels. These properties limit the applicability of current methods in Offline RL and Behavioral Cloning to learn from large, pre-collected datasets. In this work, we present Behavior Transformer (BeT), a new technique to model unlabeled demonstration data with multiple modes. BeT retrofits standard transformer architectures with action discretization coupled with a multi-task action correction inspired by offset prediction in object detection. This allows us to leverage the multi-modal modeling ability of modern transformers to predict multi-modal continuous actions. We experimentally evaluate BeT on a variety of robotic manipulation and self-driving behavior datasets. We show that BeT significantly improves over prior state-of-the-art work on solving demonstrated tasks while capturing the major modes present in the pre-collected datasets. Finally, through an extensive ablation study, we analyze the importance of every crucial component in BeT. Videos of behavior generated by BeT are available at https://notmahi.github.io/bet  ( 2 min )

We discuss how MultiFIT, the Multiscale Fisher's Independence Test for Multivariate Dependence proposed by Gorsky and Ma (2022), compares to existing linear-time kernel tests based on the Hilbert-Schmidt independence criterion (HSIC). We highlight the fact that the levels of the kernel tests at any finite sample size can be controlled exactly, as it is the case with the level of MultiFIT. In our experiments, we observe some of the performance limitations of MultiFIT in terms of test power.  ( 2 min )

We introduce a framework that enables efficient sampling from learned probability distributions for MRI reconstruction. Different from conventional deep learning-based MRI reconstruction techniques, samples are drawn from the posterior distribution given the measured k-space using the Markov chain Monte Carlo (MCMC) method. In addition to the maximum a posteriori (MAP) estimate for the image, which can be obtained with conventional methods, the minimum mean square error (MMSE) estimate and uncertainty maps can also be computed. The data-driven Markov chains are constructed from the generative model learned from a given image database and are independent of the forward operator that is used to model the k-space measurement. This provides flexibility because the method can be applied to k-space acquired with different sampling schemes or receive coils using the same pre-trained models. Furthermore, we use a framework based on a reverse diffusion process to be able to utilize advanced generative models. The performance of the method is evaluated on an open dataset using 10-fold undersampling in k-space.  ( 2 min )

The protection of private information is a crucial issue in data-driven research and business contexts. Typically, techniques like anonymisation or (selective) deletion are introduced in order to allow data sharing, e. g. in the case of collaborative research endeavours. For use with anonymisation techniques, the $k$-anonymity criterion is one of the most popular, with numerous scientific publications on different algorithms and metrics. Anonymisation techniques often require changing the data and thus necessarily affect the results of machine learning models trained on the underlying data. In this work, we conduct a systematic comparison and detailed investigation into the effects of different $k$-anonymisation algorithms on the results of machine learning models. We investigate a set of popular $k$-anonymisation algorithms with different classifiers and evaluate them on different real-world datasets. Our systematic evaluation shows that with an increasingly strong $k$-anonymity constraint, the classification performance generally degrades, but to varying degrees and strongly depending on the dataset and anonymisation method. Furthermore, Mondrian can be considered as the method with the most appealing properties for subsequent classification.  ( 2 min )

Kernel segmentation aims at partitioning a data sequence into several non-overlapping segments that may have nonlinear and complex structures. In general, it is formulated as a discrete optimization problem with combinatorial constraints. A popular algorithm for optimally solving this problem is dynamic programming (DP), which has quadratic computation and memory requirements. Given that sequences in practice are too long, this algorithm is not a practical approach. Although many heuristic algorithms have been proposed to approximate the optimal segmentation, they have no guarantee on the quality of their solutions. In this paper, we take a differentiable approach to alleviate the aforementioned issues. First, we introduce a novel sigmoid-based regularization to smoothly approximate the combinatorial constraints. Combining it with objective of the balanced kernel clustering, we formulate a differentiable model termed Kernel clustering with sigmoid-based regularization (KCSR), where the gradient-based algorithm can be exploited to obtain the optimal segmentation. Second, we develop a stochastic variant of the proposed model. By using the stochastic gradient descent algorithm, which has much lower time and space complexities, for optimization, the second model can perform segmentation on overlong data sequences. Finally, for simultaneously segmenting multiple data sequences, we slightly modify the sigmoid-based regularization to further introduce an extended variant of the proposed model. Through extensive experiments on various types of data sequences performances of our models are evaluated and compared with those of the existing methods. The experimental results validate advantages of the proposed models. Our Matlab source code is available on github.  ( 3 min )

We all depend on mobility, and vehicular transportation affects the daily lives of most of us. Thus, the ability to forecast the state of traffic in a road network is an important functionality and a challenging task. Traffic data is often obtained from sensors deployed in a road network. Recent proposals on spatial-temporal graph neural networks have achieved great progress at modeling complex spatial-temporal correlations in traffic data, by modeling traffic data as a diffusion process. However, intuitively, traffic data encompasses two different kinds of hidden time series signals, namely the diffusion signals and inherent signals. Unfortunately, nearly all previous works coarsely consider traffic signals entirely as the outcome of the diffusion, while neglecting the inherent signals, which impacts model performance negatively. To improve modeling performance, we propose a novel Decoupled Spatial-Temporal Framework (DSTF) that separates the diffusion and inherent traffic information in a data-driven manner, which encompasses a unique estimation gate and a residual decomposition mechanism. The separated signals can be handled subsequently by the diffusion and inherent modules separately. Further, we propose an instantiation of DSTF, Decoupled Dynamic Spatial-Temporal Graph Neural Network (D2STGNN), that captures spatial-temporal correlations and also features a dynamic graph learning module that targets the learning of the dynamic characteristics of traffic networks. Extensive experiments with four real-world traffic datasets demonstrate that the framework is capable of advancing the state-of-the-art.  ( 3 min )

Information extraction from conversational data is particularly challenging because the task-centric nature of conversation allows for effective communication of implicit information by humans, but is challenging for machines. The challenges may differ between utterances depending on the role of the speaker within the conversation, especially when relevant expertise is distributed asymmetrically across roles. Further, the challenges may also increase over the conversation as more shared context is built up through information communicated implicitly earlier in the dialogue. In this paper, we propose the novel modeling approach MedFilter, which addresses these insights in order to increase performance at identifying and categorizing task-relevant utterances, and in so doing, positively impacts performance at a downstream information extraction task. We evaluate this approach on a corpus of nearly 7,000 doctor-patient conversations where MedFilter is used to identify medically relevant contributions to the discussion (achieving a 10% improvement over SOTA baselines in terms of area under the PR curve). Identifying task-relevant utterances benefits downstream medical processing, achieving improvements of 15%, 105%, and 23% respectively for the extraction of symptoms, medications, and complaints.  ( 2 min )

Autonomous vehicles use a variety of sensors and machine-learned models to predict the behavior of surrounding road users. Most of the machine-learned models in the literature focus on quantitative error metrics like the root mean square error (RMSE) to learn and report their models' capabilities. This focus on quantitative error metrics tends to ignore the more important behavioral aspect of the models, raising the question of whether these models really predict human-like behavior. Thus, we propose to analyze the output of machine-learned models much like we would analyze human data in conventional behavioral research. We introduce quantitative metrics to demonstrate presence of three different behavioral phenomena in a naturalistic highway driving dataset: 1) The kinematics-dependence of who passes a merging point first 2) Lane change by an on-highway vehicle to accommodate an on-ramp vehicle 3) Lane changes by vehicles on the highway to avoid lead vehicle conflicts. Then, we analyze the behavior of three machine-learned models using the same metrics. Even though the models' RMSE value differed, all the models captured the kinematic-dependent merging behavior but struggled at varying degrees to capture the more nuanced courtesy lane change and highway lane change behavior. Additionally, the collision aversion analysis during lane changes showed that the models struggled to capture the physical aspect of human driving: leaving adequate gap between the vehicles. Thus, our analysis highlighted the inadequacy of simple quantitative metrics and the need to take a broader behavioral perspective when analyzing machine-learned models of human driving predictions.

The success of deep learning ignited interest in whether the brain learns hierarchical representations using gradient-based learning. However, current biologically plausible methods for gradient-based credit assignment in deep neural networks need infinitesimally small feedback signals, which is problematic in biologically realistic noisy environments and at odds with experimental evidence in neuroscience showing that top-down feedback can significantly influence neural activity. Building upon deep feedback control (DFC), a recently proposed credit assignment method, we combine strong feedback influences on neural activity with gradient-based learning and show that this naturally leads to a novel view on neural network optimization. Instead of gradually changing the network weights towards configurations with low output loss, weight updates gradually minimize the amount of feedback required from a controller that drives the network to the supervised output label. Moreover, we show that the use of strong feedback in DFC allows learning forward and feedback connections simultaneously, using learning rules fully local in space and time. We complement our theoretical results with experiments on standard computer-vision benchmarks, showing competitive performance to backpropagation as well as robustness to noise. Overall, our work presents a fundamentally novel view of learning as control minimization, while sidestepping biologically unrealistic assumptions.

According to the World Health Organization, visual impairment is estimated to affect approximately 2.2 billion people worldwide. The visually impaired must currently rely on navigational aids to replace their sense of sight, like a white cane or GPS (Global Positioning System) based navigation, both of which fail to work well indoors. The white cane cannot be used to determine a user's position within a room, while GPS can often lose connection indoors and does not provide orientation information, making both approaches unsuitable for indoor use. Therefore, this research seeks to develop a 3D-imaging solution that enables contactless navigation through a complex indoor environment. The device can pinpoint a user's position and orientation with 31% less error compared to previous approaches while requiring only 53.1% of the memory, and processing 125% faster. The device can also detect obstacles with 60.2% more accuracy than the previous state-of-the-art models while requiring only 41% of the memory and processing 260% faster. When testing with human participants, the device allows for a 94.5% reduction in collisions with obstacles in the environment and allows for a 48.3% increase in walking speed, showing that my device enables safer and more rapid navigation for the visually impaired. All in all, this research demonstrates a 3D-based navigation system for the visually impaired. The approach can be used by a wide variety of mobile low-power devices, like cell phones, ensuring this research remains accessible to all.  ( 2 min )

It is common in computer vision to be confronted with domain shift: images which have the same class but different acquisition conditions. In domain adaptation (DA), one wants to classify unlabeled target images using source labeled images. Unfortunately, deep neural networks trained on a source training set perform poorly on target images which do not belong to the training domain. One strategy to improve these performances is to align the source and target image distributions in an embedded space using optimal transport (OT). However OT can cause negative transfer, i.e. aligning samples with different labels, which leads to overfitting especially in the presence of label shift between domains. In this work, we mitigate negative alignment by explaining it as a noisy label assignment to target images. We then mitigate its effect by appropriate regularization. We propose to couple the MixUp regularization \citep{zhang2018mixup} with a loss that is robust to noisy labels in order to improve domain adaptation performance. We show in an extensive ablation study that a combination of the two techniques is critical to achieve improved performance. Finally, we evaluate our method, called \textsc{mixunbot}, on several benchmarks and real-world DA problems.  ( 2 min )

Many past works aim to improve visual reasoning in models by supervising feature importance (estimated by model explanation techniques) with human annotations such as highlights of important image regions. However, recent work has shown that performance gains from feature importance (FI) supervision for Visual Question Answering (VQA) tasks persist even with random supervision, suggesting that these methods do not meaningfully align model FI with human FI. In this paper, we show that model FI supervision can meaningfully improve VQA model accuracy as well as performance on several Right-for-the-Right-Reason (RRR) metrics by optimizing for four key model objectives: (1) accurate predictions given limited but sufficient information (Sufficiency); (2) max-entropy predictions given no important information (Uncertainty); (3) invariance of predictions to changes in unimportant features (Invariance); and (4) alignment between model FI explanations and human FI explanations (Plausibility). Our best performing method, Visual Feature Importance Supervision (VisFIS), outperforms strong baselines on benchmark VQA datasets in terms of both in-distribution and out-of-distribution accuracy. While past work suggests that the mechanism for improved accuracy is through improved explanation plausibility, we show that this relationship depends crucially on explanation faithfulness (whether explanations truly represent the model's internal reasoning). Predictions are more accurate when explanations are plausible and faithful, and not when they are plausible but not faithful. Lastly, we show that, surprisingly, RRR metrics are not predictive of out-of-distribution model accuracy when controlling for a model's in-distribution accuracy, which calls into question the value of these metrics for evaluating model reasoning. All supporting code is available at https://github.com/zfying/visfis  ( 3 min )

Employing deep neural networks (DNNs) to directly learn filters for multi-channel speech enhancement has potentially two key advantages over a traditional approach combining a linear spatial filter with an independent tempo-spectral post-filter: 1) non-linear spatial filtering allows to overcome potential restrictions originating from a linear processing model and 2) joint processing of spatial and tempo-spectral information allows to exploit interdependencies between different sources of information. A variety of DNN-based non-linear filters have been proposed recently, for which good enhancement performance is reported. However, little is known about the internal mechanisms which turns network architecture design into a game of chance. Therefore, in this paper, we perform experiments to better understand the internal processing of spatial, spectral and temporal information by DNN-based non-linear filters. On the one hand, our experiments in a difficult speech extraction scenario confirm the importance of non-linear spatial filtering, which outperforms an oracle linear spatial filter by 0.24 POLQA score. On the other hand, we demonstrate that joint processing results in a large performance gap of 0.4 POLQA score between network architectures exploiting spectral versus temporal information besides spatial information.  ( 2 min )

The conventional recipe for maximizing model accuracy is to (1) train multiple models with various hyperparameters and (2) pick the individual model which performs best on a held-out validation set, discarding the remainder. In this paper, we revisit the second step of this procedure in the context of fine-tuning large pre-trained models, where fine-tuned models often appear to lie in a single low error basin. We show that averaging the weights of multiple models fine-tuned with different hyperparameter configurations often improves accuracy and robustness. Unlike a conventional ensemble, we may average many models without incurring any additional inference or memory costs -- we call the results "model soups." When fine-tuning large pre-trained models such as CLIP, ALIGN, and a ViT-G pre-trained on JFT, our soup recipe provides significant improvements over the best model in a hyperparameter sweep on ImageNet. The resulting ViT-G model, which attains 90.94% top-1 accuracy on ImageNet, achieved a new state of the art. Furthermore, we show that the model soup approach extends to multiple image classification and natural language processing tasks, improves out-of-distribution performance, and improves zero-shot performance on new downstream tasks. Finally, we analytically relate the performance similarity of weight-averaging and logit-ensembling to flatness of the loss and confidence of the predictions, and validate this relation empirically. Code is available at https://github.com/mlfoundations/model-soups.  ( 3 min )

Self-disclosed mental health diagnoses, which serve as ground truth annotations of mental health status in the absence of clinical measures, underpin the conclusions behind most computational studies of mental health language from the last decade. However, psychiatric conditions are dynamic; a prior depression diagnosis may no longer be indicative of an individual's mental health, either due to treatment or other mitigating factors. We ask: to what extent are self-disclosures of mental health diagnoses actually relevant over time? We analyze recent activity from individuals who disclosed a depression diagnosis on social media over five years ago and, in turn, acquire a new understanding of how presentations of mental health status on social media manifest longitudinally. We also provide expanded evidence for the presence of personality-related biases in datasets curated using self-disclosed diagnoses. Our findings motivate three practical recommendations for improving mental health datasets curated using self-disclosed diagnoses: 1) Annotate diagnosis dates and psychiatric comorbidities; 2) Sample control groups using propensity score matching; 3) Identify and remove spurious correlations introduced by selection bias.  ( 2 min )

Automating ontology construction and curation is an important but challenging task in knowledge engineering and artificial intelligence. Prediction by machine learning techniques such as contextual semantic embedding is a promising direction, but the relevant research is still preliminary especially for expressive ontologies in Web Ontology Language (OWL). In this paper, we present a new subsumption prediction method named BERTSubs for classes of OWL ontology. It exploits the pre-trained language model BERT to compute contextual embeddings of a class, where customized templates are proposed to incorporate the class context (e.g., neighbouring classes) and the logical existential restriction. BERTSubs is quite general, being able to predict multiple kinds of subsumers including named classes and existential restrictions from the same ontology or another ontology. Extensive evaluation on five real-world ontologies for three different subsumption tasks has shown the effectiveness of the templates and that BERTSubs can dramatically outperform the baselines that use (literal-aware) knowledge graph embeddings, non-contextual word embeddings and the state-of-the-art OWL ontology embeddings.

The increasing number of protein sequences decoded from genomes is opening up new avenues of research on linking protein sequence to function with transformer neural networks. Recent research has shown that the number of known protein sequences supports learning useful, task-agnostic sequence representations via transformers. In this paper, we posit that learning joint sequence-structure representations yields better representations for function-related prediction tasks. We propose a transformer neural network that attends to both sequence and tertiary structure. We show that such joint representations are more powerful than sequence-based representations only, and they yield better performance on superfamily membership across various metrics.  ( 2 min )

With the rapid development of eXplainable Artificial Intelligence (XAI), a long line of past work has shown concerns about the Out-of-Distribution (OOD) problem in perturbation-based post-hoc XAI models and explanations are socially misaligned. We explore the limitations of post-hoc explanation methods that use approximators to mimic the behavior of black-box models. Then we propose eXplanation-based Counterfactual Retraining (XCR), which extracts feature importance fastly. XCR applies the explanations generated by the XAI model as counterfactual input to retrain the black-box model to address OOD and social misalignment problems. Evaluation of popular image datasets shows that XCR can improve model performance when only retaining 12.5% of the most crucial features without changing the black-box model structure. Furthermore, the evaluation of the benchmark of corruption datasets shows that the XCR is very helpful for improving model robustness and positively impacts the calibration of OOD problems. Even though not calibrated in the validation set like some OOD calibration methods, the corrupted data metric outperforms existing methods. Our method also beats current OOD calibration methods on the OOD calibration metric if calibration on the validation set is applied.  ( 2 min )

We investigate properties of goodness-of-fit tests based on the Kernel Stein Discrepancy (KSD). We introduce a strategy to construct a test, called KSDAgg, which aggregates multiple tests with different kernels. KSDAgg avoids splitting the data to perform kernel selection (which leads to a loss in test power), and rather maximises the test power over a collection of kernels. We provide theoretical guarantees on the power of KSDAgg: we show it achieves the smallest uniform separation rate of the collection, up to a logarithmic term. KSDAgg can be computed exactly in practice as it relies either on a parametric bootstrap or on a wild bootstrap to estimate the quantiles and the level corrections. In particular, for the crucial choice of bandwidth of a fixed kernel, it avoids resorting to arbitrary heuristics (such as median or standard deviation) or to data splitting. We find on both synthetic and real-world data that KSDAgg outperforms other state-of-the-art adaptive KSD-based goodness-of-fit testing procedures.  ( 2 min )

Sparse subspace clustering methods with sparsity induced by $\ell^{0}$-norm, such as $\ell^{0}$-Sparse Subspace Clustering ($\ell^{0}$-SSC)~\citep{YangFJYH16-L0SSC-ijcv}, are demonstrated to be more effective than its $\ell^{1}$ counterpart such as Sparse Subspace Clustering (SSC)~\citep{ElhamifarV13}. However, the theoretical analysis of $\ell^{0}$-SSC is restricted to clean data that lie exactly in subspaces. Real data often suffer from noise and they may lie close to subspaces. In this paper, we show that an optimal solution to the optimization problem of noisy $\ell^{0}$-SSC achieves subspace detection property (SDP), a key element with which data from different subspaces are separated, under deterministic and semi-random model. Our results provide theoretical guarantee on the correctness of noisy $\ell^{0}$-SSC in terms of SDP on noisy data for the first time, which reveals the advantage of noisy $\ell^{0}$-SSC in terms of much less restrictive condition on subspace affinity. In order to improve the efficiency of noisy $\ell^{0}$-SSC, we propose Noisy-DR-$\ell^{0}$-SSC which provably recovers the subspaces on dimensionality reduced data. Noisy-DR-$\ell^{0}$-SSC first projects the data onto a lower dimensional space by random projection, then performs noisy $\ell^{0}$-SSC on the projected data for improved efficiency. Experimental results demonstrate the effectiveness of Noisy-DR-$\ell^{0}$-SSC.  ( 2 min )

Researchers may perform regressions using a sketch of data of size $m$ instead of the full sample of size $n$ for a variety of reasons. This paper considers the case when the regression errors do not have constant variance and heteroskedasticity robust standard errors would normally be needed for test statistics to provide accurate inference. We show that estimates using data sketched by random projections will behave `as if' the errors were homoskedastic. Estimation by random sampling would not have this property. The result arises because the sketched estimates in the case of random projections can be expressed as degenerate $U$-statistics, and under certain conditions, these statistics are asymptotically normal with homoskedastic variance. We verify that the conditions hold not only in the case of least squares regression when the covariates are exogenous, but also in instrumental variables estimation when the covariates are endogenous. The result implies that inference, including first-stage F tests for instrument relevance, can be simpler than the full sample case if the sketching scheme is appropriately chosen.  ( 2 min )

Generative deep neural networks used in machine learning, like the Variational Auto-Encoders (VAE), and Generative Adversarial Networks (GANs) produce new objects each time when asked to do so with the constraint that the new objects remain similar to some list of examples given as input. However, this behavior is unlike that of human artists that change their style as times go by and seldom return to the initial creations. We investigate a situation where VAEs are used to sample from a probability measure described by some empirical dataset. Based on recent works on Radon-Sobolev statistical distances, we propose a numerical paradigm, to be used in conjunction with a generative algorithm, that satisfies the two following requirements: the objects created do not repeat and evolve to fill the entire target probability measure.

NDCG, namely Normalized Discounted Cumulative Gain, is a widely used ranking metric in information retrieval and machine learning. However, efficient and provable stochastic methods for maximizing NDCG are still lacking, especially for deep models. In this paper, we propose a principled approach to optimize NDCG and its top-$K$ variant. First, we formulate a novel compositional optimization problem for optimizing the NDCG surrogate, and a novel bilevel compositional optimization problem for optimizing the top-$K$ NDCG surrogate. Then, we develop efficient stochastic algorithms with provable convergence guarantees for the non-convex objectives. Different from existing NDCG optimization methods, the per-iteration complexity of our algorithms scales with the mini-batch size instead of the number of total items. To improve the effectiveness for deep learning, we further propose practical strategies by using initial warm-up and stop gradient operator. Experimental results on multiple datasets demonstrate that our methods outperform prior ranking approaches in terms of NDCG. To the best of our knowledge, this is the first time that stochastic algorithms are proposed to optimize NDCG with a provable convergence guarantee. Our proposed methods are implemented in the LibAUC library at https://libauc.org/.

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other and to the Weisfeiler--Leman hierarchy. Moreover, current approaches either use all subgraphs of a given size, sample them uniformly at random, or use hand-crafted heuristics instead of learning to select subgraphs in a data-driven manner. Here, we offer a unified way to study such architectures by introducing a theoretical framework and extending the known expressivity results of subgraph-enhanced GNNs. Concretely, we show that increasing subgraph size always increases the expressive power and develop a better understanding of their limitations by relating them to the established $k\text{-}\mathsf{WL}$ hierarchy. In addition, we explore different approaches for learning to sample subgraphs using recent methods for backpropagating through complex discrete probability distributions. Empirically, we study the predictive performance of different subgraph-enhanced GNNs, showing that our data-driven architectures increase prediction accuracy on standard benchmark datasets compared to non-data-driven subgraph-enhanced graph neural networks while reducing computation time.  ( 2 min )

Drug-Target Affinity (DTA) prediction is an essential task for drug discovery and pharmaceutical research. Accurate predictions of DTA can greatly benefit the design of new drug. As wet experiments are costly and time consuming, the supervised data for DTA prediction is extremely limited. This seriously hinders the application of deep learning based methods, which require a large scale of supervised data. To address this challenge and improve the DTA prediction accuracy, we propose a framework with several simple yet effective strategies in this work: (1) a multi-task training strategy, which takes the DTA prediction and the masked language modeling (MLM) task on the paired drug-target dataset; (2) a semi-supervised training method to empower the drug and target representation learning by leveraging large-scale unpaired molecules and proteins in training, which differs from previous pre-training and fine-tuning methods that only utilize molecules or proteins in pre-training; and (3) a cross-attention module to enhance the interaction between drug and target representation. Extensive experiments are conducted on three real-world benchmark datasets: BindingDB, DAVIS and KIBA. The results show that our framework significantly outperforms existing methods and achieves state-of-the-art performances, e.g., $0.712$ RMSE on BindingDB IC$_{50}$ measurement with more than $5\%$ improvement than previous best work. In addition, case studies on specific drug-target binding activities, drug feature visualizations, and real-world applications demonstrate the great potential of our work. The code and data are released at https://github.com/QizhiPei/SMT-DTA  ( 3 min )

Aquatic locomotion is a classic fluid-structure interaction (FSI) problem of interest to biologists and engineers. Solving the fully coupled FSI equations for incompressible Navier-Stokes and finite elasticity is computationally expensive. Optimizing robotic swimmer design within such a system generally involves cumbersome, gradient-free procedures on top of the already costly simulation. To address this challenge we present a novel, fully differentiable hybrid approach to FSI that combines a 2D direct numerical simulation for the deformable solid structure of the swimmer and a physics-constrained neural network surrogate to capture hydrodynamic effects of the fluid. For the deformable solid simulation of the swimmer's body, we use state-of-the-art techniques from the field of computer graphics to speed up the finite-element method (FEM). For the fluid simulation, we use a U-Net architecture trained with a physics-based loss function to predict the flow field at each time step. The pressure and velocity field outputs from the neural network are sampled around the boundary of our swimmer using an immersed boundary method (IBM) to compute its swimming motion accurately and efficiently. We demonstrate the computational efficiency and differentiability of our hybrid simulator on a 2D carangiform swimmer. Due to differentiability, the simulator can be used for computational design of controls for soft bodies immersed in fluids via direct gradient-based optimization.  ( 3 min )

We propose a novel algorithm for performing federated learning with Echo State Networks (ESNs) in a client-server scenario. In particular, our proposal focuses on the adaptation of reservoirs by combining Intrinsic Plasticity with Federated Averaging. The former is a gradient-based method for adapting the reservoir's non-linearity in a local and unsupervised manner, while the latter provides the framework for learning in the federated scenario. We evaluate our approach on real-world datasets from human monitoring, in comparison with the previous approach for federated ESNs existing in literature. Results show that adapting the reservoir with our algorithm provides a significant improvement on the performance of the global model.  ( 2 min )

Recent research works have shown that image retrieval models are vulnerable to adversarial attacks, where slightly modified test inputs could lead to problematic retrieval results. In this paper, we aim to design a provably robust image retrieval model which keeps the most important evaluation metric Recall@1 invariant to adversarial perturbation. We propose the first 1-nearest neighbor (NN) image retrieval algorithm, RetrievalGuard, which is provably robust against adversarial perturbations within an $\ell_2$ ball of calculable radius. The challenge is to design a provably robust algorithm that takes into consideration the 1-NN search and the high-dimensional nature of the embedding space. Algorithmically, given a base retrieval model and a query sample, we build a smoothed retrieval model by carefully analyzing the 1-NN search procedure in the high-dimensional embedding space. We show that the smoothed retrieval model has bounded Lipschitz constant and thus the retrieval score is invariant to $\ell_2$ adversarial perturbations. Experiments on image retrieval tasks validate the robustness of our RetrievalGuard method.  ( 2 min )

We investigate the cold posterior effect through the lens of PAC-Bayes generalization bounds. We argue that in the non-asymptotic setting, when the number of training samples is (relatively) small, discussions of the cold posterior effect should take into account that approximate Bayesian inference does not readily provide guarantees of performance on out-of-sample data. Instead, out-of-sample error is better described through a generalization bound. In this context, we explore the connections between the ELBO objective from variational inference and the PAC-Bayes objectives. We note that, while the ELBO and PAC-Bayes objectives are similar, the latter objectives naturally contain a temperature parameter $\lambda$ which is not restricted to be $\lambda=1$. For both regression and classification tasks, in the case of isotropic Laplace approximations to the posterior, we show how this PAC-Bayesian interpretation of the temperature parameter captures the cold posterior effect.  ( 2 min )

Over the past few years deep learning-based techniques such as Generative Adversarial Networks (GANs) have significantly improved solutions to image super-resolution and image-to-image translation problems. In this paper, we propose a solution to the joint problem of image super-resolution and multi-modality image-to-image translation. The problem can be stated as the recovery of a high-resolution image in a modality, given a low-resolution observation of the same image in an alternative modality. Our paper offers two models to address this problem and will be evaluated on the recovery of high-resolution day images given low-resolution night images of the same scene. Promising qualitative and quantitative results will be presented for each model.  ( 2 min )

We state concentration and martingale inequalities for the output of the hidden layers of a stochastic deep neural network (SDNN), as well as for the output of the whole SDNN. These results allow us to introduce an expected classifier (EC), and to give probabilistic upper bound for the classification error of the EC. We also state the optimal number of layers for the SDNN via an optimal stopping procedure. We apply our analysis to a stochastic version of a feedforward neural network with ReLU activation function.  ( 2 min )

We present tntorch, a tensor learning framework that supports multiple decompositions (including Candecomp/Parafac, Tucker, and Tensor Train) under a unified interface. With our library, the user can learn and handle low-rank tensors with automatic differentiation, seamless GPU support, and the convenience of PyTorch's API. Besides decomposition algorithms, tntorch implements differentiable tensor algebra, rank truncation, cross-approximation, batch processing, comprehensive tensor arithmetics, and more.  ( 2 min )

Any explicit functional representation $f$ of a density is hampered by two main obstacles when we wish to use it as a generative model: designing $f$ so that sampling is fast, and estimating $Z = \int f$ so that $Z^{-1}f$ integrates to 1. This becomes increasingly complicated as $f$ itself becomes complicated. In this paper, we show that when modeling one-dimensional conditional densities with a neural network, $Z$ can be exactly and efficiently computed by letting the network represent the cumulative distribution function of a target density, and applying a generalized fundamental theorem of calculus. We also derive a fast algorithm for sampling from the resulting representation by the inverse transform method. By extending these principles to higher dimensions, we introduce the \textbf{Neural Inverse Transform Sampler (NITS)}, a novel deep learning framework for modeling and sampling from general, multidimensional, compactly-supported probability densities. NITS is a highly expressive density estimator that boasts end-to-end differentiability, fast sampling, and exact and cheap likelihood evaluation. We demonstrate the applicability of NITS by applying it to realistic, high-dimensional density estimation tasks: likelihood-based generative modeling on the CIFAR-10 dataset, and density estimation on the UCI suite of benchmark datasets, where NITS produces compelling results rivaling or surpassing the state of the art.  ( 2 min )

In this work, we try to decipher the internal connection of NLP technology development in the past decades, searching for essence, which rewards us with a (potential) new learning paradigm for NLP tasks, dubbed as reStructured Pre-training (RST). In such a paradigm, the role of data will be re-emphasized, and model pre-training and fine-tuning of downstream tasks are viewed as a process of data storing and accessing. Based on that, we operationalize the simple principle that a good storage mechanism should not only have the ability to cache a large amount of data but also consider the ease of access. We achieve this by pre-training models over restructured data that consist of a variety of valuable information instead of raw data after overcoming several engineering challenges. Experimentally, RST models not only surpass strong competitors (e.g., T0) on 52/55 popular datasets from a variety of NLP tasks, but also achieve superior performance in National College Entrance Examination - English (Gaokao-English),the most authoritative examination in China. Specifically, the proposed system Qin achieves 40 points higher than the average scores made by students and 15 points higher than GPT3 with 1/16 parameters. In particular, Qin gets a high score of 138.5 (the full mark is 150) in the 2018 English exam (national paper III). We have released the Gaokao Benchmark with an online submission platform. In addition, we test our model in the 2022 College Entrance Examination English that happened a few days ago (2022.06.08), and it gets a total score of 134 (v.s. GPT3's 108).  ( 2 min )

Reliability estimation of Machine Learning (ML) models is becoming a crucial subject. This is particularly the case when such \mbox{models} are deployed in safety-critical applications, as the decisions based on model predictions can result in hazardous situations. In this regard, recent research has proposed methods to achieve safe, \mbox{dependable}, and reliable ML systems. One such method consists of detecting and analyzing distributional shift, and then measuring how such systems respond to these shifts. This was proposed in earlier work in SafeML. This work focuses on the use of SafeML for time series data, and on reliability and robustness estimation of ML-forecasting methods using statistical distance measures. To this end, distance measures based on the Empirical Cumulative Distribution Function (ECDF) proposed in SafeML are explored to measure Statistical-Distance Dissimilarity (SDD) across time series. We then propose SDD-based Reliability Estimate (StaDRe) and SDD-based Robustness (StaDRo) measures. With the help of a clustering technique, the similarity between the statistical properties of data seen during training and the forecasts is identified. The proposed method is capable of providing a link between dataset SDD and Key Performance Indicators (KPIs) of the ML models.  ( 2 min )

We present KeyCLD, a framework to learn Lagrangian dynamics from images. Learned keypoints represent semantic landmarks in images and can directly represent state dynamics. Interpreting this state as Cartesian coordinates coupled with explicit holonomic constraints, allows expressing the dynamics with a constrained Lagrangian. Our method explicitly models kinetic and potential energy, thus allowing energy based control. We are the first to demonstrate learning of Lagrangian dynamics from images on the dm_control pendulum, cartpole and acrobot environments. This is a step forward towards learning Lagrangian dynamics from real-world images, since previous work in literature was only applied to minimalistic images with monochromatic shapes on empty backgrounds. Please refer to our project page for code and additional results: https://rdaems.github.io/keycld/  ( 2 min )

Mini-batch SGD with momentum is a fundamental algorithm for learning large predictive models. In this paper we develop a new analytic framework to analyze mini-batch SGD for linear models at different momenta and sizes of batches. Our key idea is to describe the loss value sequence in terms of its generating function, which can be written in a compact form assuming a diagonal approximation for the second moments of model weights. By analyzing this generating function, we deduce various conclusions on the convergence conditions, phase structure of the model, and optimal learning settings. As a few examples, we show that 1) the optimization trajectory can generally switch from the "signal-dominated" to the "noise-dominated" phase, at a time scale that can be predicted analytically; 2) in the "signal-dominated" (but not the "noise-dominated") phase it is favorable to choose a large effective learning rate, however its value must be limited for any finite batch size to avoid divergence; 3) optimal convergence rate can be achieved at a negative momentum. We verify our theoretical predictions by extensive experiments with MNIST and synthetic problems, and find a good quantitative agreement.  ( 2 min )

Subgraph GNNs are a recent class of expressive Graph Neural Networks (GNNs) which model graphs as collections of subgraphs. So far, the design space of possible Subgraph GNN architectures as well as their basic theoretical properties are still largely unexplored. In this paper, we study the most prominent form of subgraph methods, which employs node-based subgraph selection policies such as ego-networks or node marking and deletion. We address two central questions: (1) What is the upper-bound of the expressive power of these methods? and (2) What is the family of equivariant message passing layers on these sets of subgraphs?. Our first step in answering these questions is a novel symmetry analysis which shows that modelling the symmetries of node-based subgraph collections requires a significantly smaller symmetry group than the one adopted in previous works. This analysis is then used to establish a link between Subgraph GNNs and Invariant Graph Networks (IGNs). We answer the questions above by first bounding the expressive power of subgraph methods by 3-WL, and then proposing a general family of message-passing layers for subgraph methods that generalises all previous node-based Subgraph GNNs. Finally, we design a novel Subgraph GNN dubbed SUN, which theoretically unifies previous architectures while providing better empirical performance on multiple benchmarks.  ( 2 min )

We present a novel 3D instance segmentation framework for Multi-View Stereo (MVS) buildings in urban scenes. Unlike existing works focusing on semantic segmentation of urban scenes, the emphasis of this work lies in detecting and segmenting 3D building instances even if they are attached and embedded in a large and imprecise 3D surface model. Multi-view RGB images are first enhanced to RGBH images by adding a heightmap and are segmented to obtain all roof instances using a fine-tuned 2D instance segmentation neural network. Instance masks from different multi-view images are then clustered into global masks. Our mask clustering accounts for spatial occlusion and overlapping, which can eliminate segmentation ambiguities among multi-view images. Based on these global masks, 3D roof instances are segmented out by mask back-projections and extended to the entire building instances through a Markov random field optimization. A new dataset that contains instance-level annotation for both 3D urban scenes (roofs and buildings) and drone images (roofs) is provided. To the best of our knowledge, it is the first outdoor dataset dedicated to 3D instance segmentation with much more annotations of attached 3D buildings than existing datasets. Quantitative evaluations and ablation studies have shown the effectiveness of all major steps and the advantages of our multi-view framework over the orthophoto-based method.  ( 3 min )

The theory of reinforcement learning has focused on two fundamental problems: achieving low regret, and identifying $\epsilon$-optimal policies. While a simple reduction allows one to apply a low-regret algorithm to obtain an $\epsilon$-optimal policy and achieve the worst-case optimal rate, it is unknown whether low-regret algorithms can obtain the instance-optimal rate for policy identification. We show this is not possible -- there exists a fundamental tradeoff between achieving low regret and identifying an $\epsilon$-optimal policy at the instance-optimal rate. Motivated by our negative finding, we propose a new measure of instance-dependent sample complexity for PAC tabular reinforcement learning which explicitly accounts for the attainable state visitation distributions in the underlying MDP. We then propose and analyze a novel, planning-based algorithm which attains this sample complexity -- yielding a complexity which scales with the suboptimality gaps and the "reachability" of a state. We show our algorithm is nearly minimax optimal, and on several examples that our instance-dependent sample complexity offers significant improvements over worst-case bounds.  ( 2 min )

We study approximation algorithms for the socially fair $(\ell_p, k)$-clustering problem with $m$ groups, whose special cases include the socially fair $k$-median ($p=1$) and socially fair $k$-means ($p=2$) problems. We present (1) a polynomial-time $(5+2\sqrt{6})^p$-approximation with at most $k+m$ centers (2) a $(5+2\sqrt{6}+\epsilon)^p$-approximation with $k$ centers in time $n^{2^{O(p)}\cdot m^2}$, and (3) a $(15+6\sqrt{6})^p$ approximation with $k$ centers in time $k^{m}\cdot\text{poly}(n)$. The first result is obtained via a refinement of the iterative rounding method using a sequence of linear programs. The latter two results are obtained by converting a solution with up to $k+m$ centers to one with $k$ centers using sparsification methods for (2) and via an exhaustive search for (3). We also compare the performance of our algorithms with existing bicriteria algorithms as well as exactly $k$ center approximation algorithms on benchmark datasets, and find that our algorithms also outperform existing methods in practice.  ( 2 min )

We develop E-variables for testing whether two or more data streams come from the same source or not, and more generally, whether the difference between the sources is larger than some minimal effect size. These E-variables lead to exact, nonasymptotic tests that remain safe, i.e. keep their type-I error guarantees, under flexible sampling scenarios such as optional stopping and continuation. In special cases our E-variables also have an optimal 'growth' property under the alternative. While the construction is generic, we illustrate it through the special case of k x 2 contingency tables, where we also allow for the incorporation of different restrictions on a composite alternative. Comparison to p-value analysis in simulations and a real-world example show that E-variables, through their flexibility, often allow for early stopping of data collection, thereby retaining similar power as classical methods, while also retaining the option of extending or combining data afterwards.  ( 2 min )

Accurately modeling contact behaviors for real-world, near-rigid materials remains a grand challenge for existing rigid-body physics simulators. This paper introduces a data-augmented contact model that incorporates analytical solutions with observed data to predict the 3D contact impulse which could result in rigid bodies bouncing, sliding or spinning in all directions. Our method enhances the expressiveness of the standard Coulomb contact model by learning the contact behaviors from the observed data, while preserving the fundamental contact constraints whenever possible. For example, a classifier is trained to approximate the transitions between static and dynamic frictions, while non-penetration constraint during collision is enforced analytically. Our method computes the aggregated effect of contact for the entire rigid body, instead of predicting the contact force for each contact point individually, maintaining same simulation speed as the number of contact points increases for detailed geometries. Supplemental video: https://shorturl.at/eilwX Keywords: Physics Simulation Algorithms, Dynamics Learning, Contact Learning  ( 2 min )

We study the efficiency of Thompson sampling for contextual bandits. Existing Thompson sampling-based algorithms need to construct a Laplace approximation (i.e., a Gaussian distribution) of the posterior distribution, which is inefficient to sample in high dimensional applications for general covariance matrices. Moreover, the Gaussian approximation may not be a good surrogate for the posterior distribution for general reward generating functions. We propose an efficient posterior sampling algorithm, viz., Langevin Monte Carlo Thompson Sampling (LMC-TS), that uses Markov Chain Monte Carlo (MCMC) methods to directly sample from the posterior distribution in contextual bandits. Our method is computationally efficient since it only needs to perform noisy gradient descent updates without constructing the Laplace approximation of the posterior distribution. We prove that the proposed algorithm achieves the same sublinear regret bound as the best Thompson sampling algorithms for a special case of contextual bandits, viz., linear contextual bandits. We conduct experiments on both synthetic data and real-world datasets on different contextual bandit models, which demonstrates that directly sampling from the posterior is both computationally efficient and competitive in performance.  ( 2 min )

A theoretical, and potentially also practical, problem with stochastic gradient descent is that trajectories may escape to infinity. In this note, we investigate uniform boundedness properties of iterates and function values along the trajectories of the stochastic gradient descent algorithm and its important momentum variant. Under smoothness and $R$-dissipativity of the loss function, we show that broad families of step-sizes, including the widely used step-decay and cosine with (or without) restart step-sizes, result in uniformly bounded iterates and function values. Several important applications that satisfy these assumptions, including phase retrieval problems, Gaussian mixture models, and some neural network classifiers, are discussed in detail. We further extend the uniform boundedness of SGD and its momentum variant under the generalized dissipativity for the functions whose tails grow slower than quadratic functions. This includes some interesting applications, for example, Bayesian logistic regression and logistic regression with $\ell_1$ regularization.  ( 2 min )

Conventional methods for human pose estimation either require a high degree of instrumentation, by relying on many inertial measurement units (IMUs), or constraint the recording space, by relying on extrinsic cameras. These deficits are tackled through the approach of human pose estimation from sparse IMU data. We define adjacency adaptive graph convolutional long-short term memory networks (AAGC-LSTM), to tackle human pose estimation based on six IMUs, while incorporating the human body graph structure directly into the network. The AAGC-LSTM combines both spatial and temporal dependency in a single network operation, more memory efficiently than previous approaches. This is made possible by equipping graph convolutions with adjacency adaptivity, which eliminates the problem of information loss in deep or recurrent graph networks, while it also allows for learning unknown dependencies between the human body joints. To further boost accuracy, we propose longitudinal loss weighting to consider natural movement patterns. With our presented approach, we are able to utilize the inherent graph nature of the human body, and thus can outperform the state of the art (SOTA) for human pose estimation from sparse IMU data.  ( 2 min )

While several types of post hoc explanation methods (e.g., feature attribution methods) have been proposed in recent literature, there is little to no work on systematically benchmarking these methods in an efficient and transparent manner. Here, we introduce OpenXAI, a comprehensive and extensible open source framework for evaluating and benchmarking post hoc explanation methods. OpenXAI comprises of the following key components: (i) a flexible synthetic data generator and a collection of diverse real-world datasets, pre-trained models, and state-of-the-art feature attribution methods, (ii) open-source implementations of twenty-two quantitative metrics for evaluating faithfulness, stability (robustness), and fairness of explanation methods, and (iii) the first ever public XAI leaderboards to benchmark explanations. OpenXAI is easily extensible, as users can readily evaluate custom explanation methods and incorporate them into our leaderboards. Overall, OpenXAI provides an automated end-to-end pipeline that not only simplifies and standardizes the evaluation of post hoc explanation methods, but also promotes transparency and reproducibility in benchmarking these methods. OpenXAI datasets and data loaders, implementations of state-of-the-art explanation methods and evaluation metrics, as well as leaderboards are publicly available at https://open-xai.github.io/.

Finding the most influential nodes in a network is a computationally hard problem with several possible applications in various kinds of network-based problems. While several methods have been proposed for tackling the influence maximisation (IM) problem, their runtime typically scales poorly when the network size increases. Here, we propose an original method, based on network downscaling, that allows a multi-objective evolutionary algorithm (MOEA) to solve the IM problem on a reduced scale network, while preserving the relevant properties of the original network. The downscaled solution is then upscaled to the original network, using a mechanism based on centrality metrics such as PageRank. Our results on eight large networks (including two with $\sim$50k nodes) demonstrate the effectiveness of the proposed method with a more than 10-fold runtime gain compared to the time needed on the original network, and an up to $82\%$ time reduction compared to CELF.  ( 2 min )

Active learning methods have shown great promise in reducing the number of samples necessary for learning. As automated learning systems are adopted into real-time, real-world decision-making pipelines, it is increasingly important that such algorithms are designed with safety in mind. In this work we investigate the complexity of learning the best safe decision in interactive environments. We reduce this problem to a constrained linear bandits problem, where our goal is to find the best arm satisfying certain (unknown) safety constraints. We propose an adaptive experimental design-based algorithm, which we show efficiently trades off between the difficulty of showing an arm is unsafe vs suboptimal. To our knowledge, our results are the first on best-arm identification in linear bandits with safety constraints. In practice, we demonstrate that this approach performs well on synthetic and real world datasets.

The recently developed average-case analysis of optimization methods allows a more fine-grained and representative convergence analysis than usual worst-case results. In exchange, this analysis requires a more precise hypothesis over the data generating process, namely assuming knowledge of the expected spectral distribution (ESD) of the random matrix associated with the problem. This work shows that the concentration of eigenvalues near the edges of the ESD determines a problem's asymptotic average complexity. This a priori information on this concentration is a more grounded assumption than complete knowledge of the ESD. This approximate concentration is effectively a middle ground between the coarseness of the worst-case scenario convergence and the restrictive previous average-case analysis. We also introduce the Generalized Chebyshev method, asymptotically optimal under a hypothesis on this concentration and globally optimal when the ESD follows a Beta distribution. We compare its performance to classical optimization algorithms, such as gradient descent or Nesterov's scheme, and we show that, in the average-case context, Nesterov's method is universally nearly optimal asymptotically.

Missing values are unavoidable in many applications of machine learning and present a challenge both during training and at test time. When variables are missing in recurring patterns, fitting separate pattern submodels have been proposed as a solution. However, independent models do not make efficient use of all available data. Conversely, fitting a shared model to the full data set typically relies on imputation which may be suboptimal when missingness depends on unobserved factors. We propose an alternative approach, called sharing pattern submodels, which make predictions that are a) robust to missing values at test time, b) maintains or improves the predictive power of pattern submodels, and c) has a short description enabling improved interpretability. We identify cases where sharing is provably optimal, even when missingness itself is predictive and when the prediction target depends on unobserved variables. Classification and regression experiments on synthetic data and two healthcare data sets demonstrate that our models achieve a favorable trade-off between pattern specialization and information sharing.

Collaborative multi-agent reinforcement learning (MARL) has been widely used in many practical applications, where each agent makes a decision based on its own observation. Most mainstream methods treat each local observation as an entirety when modeling the decentralized local utility functions. However, they ignore the fact that local observation information can be further divided into several entities, and only part of the entities is helpful to model inference. Moreover, the importance of different entities may change over time. To improve the performance of decentralized policies, the attention mechanism is used to capture features of local information. Nevertheless, existing attention models rely on dense fully connected graphs and cannot better perceive important states. To this end, we propose a sparse state based MARL (S2RL) framework, which utilizes a sparse attention mechanism to discard irrelevant information in local observations. The local utility functions are estimated through the self-attention and sparse attention mechanisms separately, then are combined into a standard joint value function and auxiliary joint value function in the central critic. We design the S2RL framework as a plug-and-play module, making it general enough to be applied to various methods. Extensive experiments on StarCraft II show that S2RL can significantly improve the performance of many state-of-the-art methods.

Transformers have become a predominant machine learning workload, they are not only the de-facto standard for natural language processing tasks, but they are also being deployed in other domains such as vision and speech recognition. Many of the transformer-based applications are real-time systems such as machine translation and web search. These real time systems often come with strict end-to-end inference latency requirements. Unfortunately, while the majority of the transformer computation comes from matrix multiplications, transformers also include several non-linear components that tend to become the bottleneck during an inference. In this work, we accelerate the inference of BERT models on the tensor streaming processor. By carefully fusing all the nonlinear components with the matrix multiplication components, we are able to efficiently utilize the on-chip matrix multiplication units resulting in a deterministic tail latency of 130 $\mu$s for a batch-1 inference through BERT-base, which is 6X faster than the current state-of-the-art.

One of the central problems in auction design is developing an incentive-compatible mechanism that maximizes the auctioneer's expected revenue. While theoretical approaches have encountered bottlenecks in multi-item auctions, recently, there has been much progress on finding the optimal mechanism through deep learning. However, these works either focus on a fixed set of bidders and items, or restrict the auction to be symmetric. In this work, we overcome such limitations by factoring \emph{public} contextual information of bidders and items into the auction learning framework. We propose $\mathtt{CITransNet}$, a context-integrated transformer-based neural network for optimal auction design, which maintains permutation-equivariance over bids and contexts while being able to find asymmetric solutions. We show by extensive experiments that $\mathtt{CITransNet}$ can recover the known optimal solutions in single-item settings, outperform strong baselines in multi-item auctions, and generalize well to cases other than those in training.  ( 2 min )

Data-free quantization is a task that compresses the neural network to low bit-width without access to original training data. Most existing data-free quantization methods cause severe performance degradation due to inaccurate activation clipping range and quantization error, especially for low bit-width. In this paper, we present a simple yet effective data-free quantization method with accurate activation clipping and adaptive batch normalization. Accurate activation clipping (AAC) improves the model accuracy by exploiting accurate activation information from the full-precision model. Adaptive batch normalization firstly proposes to address the quantization error from distribution changes by updating the batch normalization layer adaptively. Extensive experiments demonstrate that the proposed data-free quantization method can yield surprisingly performance, achieving 64.33% top-1 accuracy of ResNet18 on ImageNet dataset, with 3.7% absolute improvement outperforming the existing state-of-the-art methods.

This paper presents contrastive-tuning, a simple method employing contrastive training to align image and text models while still taking advantage of their pre-training. In our empirical study we find that locked pre-trained image models with unlocked text models work best. We call this instance of contrastive-tuning "Locked-image Tuning" (LiT), which just teaches a text model to read out good representations from a pre-trained image model for new tasks. A LiT model gains the capability of zero-shot transfer to new vision tasks, such as image classification or retrieval. The proposed LiT is widely applicable; it works reliably with multiple pre-training methods (supervised and unsupervised) and across diverse architectures (ResNet, Vision Transformers and MLP-Mixer) using three different image-text datasets. With the transformer-based pre-trained ViT-g/14 model, the LiT model achieves 85.2% zero-shot transfer accuracy on the ImageNet test set, and 82.5% on the challenging out-of-distribution ObjectNet test set.  ( 2 min )

We propose a new framework that generalizes the parameters of neural network models to $C^*$-algebra-valued ones. $C^*$-algebra is a generalization of the space of complex numbers. A typical example is the space of continuous functions on a compact space. This generalization enables us to combine multiple models continuously and use tools for functions such as regression and integration. Consequently, we can learn features of data efficiently and adapt the models to problems continuously. We apply our framework to practical problems such as density estimation and few-shot learning and show that our framework enables us to learn features of data even with a limited number of samples. Our new framework highlights the potential possibility of applying the theory of $C^*$-algebra to general neural network models.

We introduce robustness in \textit{restless multi-armed bandits} (RMABs), a popular model for constrained resource allocation among independent stochastic processes (arms). Nearly all RMAB techniques assume stochastic dynamics are precisely known. However, in many real-world settings, dynamics are estimated with significant \emph{uncertainty}, e.g., via historical data, which can lead to bad outcomes if ignored. To address this, we develop an algorithm to compute minimax regret -- robust policies for RMABs. Our approach uses a double oracle framework (oracles for \textit{agent} and \textit{nature}), which is often used for single-process robust planning but requires significant new techniques to accommodate the combinatorial nature of RMABs. Specifically, we design a deep reinforcement learning (RL) algorithm, DDLPO, which tackles the combinatorial challenge by learning an auxiliary "$\lambda$-network" in tandem with policy networks per arm, greatly reducing sample complexity, with guarantees on convergence. DDLPO, of general interest, implements our reward-maximizing agent oracle. We then tackle the challenging regret-maximizing nature oracle, a non-stationary RL challenge, by formulating it as a multi-agent RL problem between a policy optimizer and adversarial nature. This formulation is of general interest -- we solve it for RMABs by creating a multi-agent extension of DDLPO with a shared critic. We show our approaches work well in three experimental domains.

Federated learning (FL) is a technique that trains machine learning models from decentralized data sources. We study FL under local notions of privacy constraints, which provides strong protection against sensitive data disclosures via obfuscating the data before leaving the client. We identify two major concerns in designing practical privacy-preserving FL algorithms: communication efficiency and high-dimensional compatibility. We then develop a gradient-based learning algorithm called \emph{sqSGD} (selective quantized stochastic gradient descent) that addresses both concerns. The proposed algorithm is based on a novel privacy-preserving quantization scheme that uses a constant number of bits per dimension per client. Then we improve the base algorithm in three ways: first, we apply a gradient subsampling strategy that simultaneously offers better training performance and smaller communication costs under a fixed privacy budget. Secondly, we utilize randomized rotation as a preprocessing step to reduce quantization error. Thirdly, an adaptive gradient norm upper bound shrinkage strategy is adopted to improve accuracy and stabilize training. Finally, the practicality of the proposed framework is demonstrated on benchmark datasets. Experiment results show that sqSGD successfully learns large models like LeNet and ResNet with local privacy constraints. In addition, with fixed privacy and communication level, the performance of sqSGD significantly dominates that of various baseline algorithms.

Visual grounding is a task that aims to locate a target object according to a natural language expression. As a multi-modal task, feature interaction between textual and visual inputs is vital. However, previous solutions mainly handle each modality independently before fusing them together, which does not take full advantage of relevant textual information while extracting visual features. To better leverage the textual-visual relationship in visual grounding, we propose a Query-conditioned Convolution Module (QCM) that extracts query-aware visual features by incorporating query information into the generation of convolutional kernels. With our proposed QCM, the downstream fusion module receives visual features that are more discriminative and focused on the desired object described in the expression, leading to more accurate predictions. Extensive experiments on three popular visual grounding datasets demonstrate that our method achieves state-of-the-art performance. In addition, the query-aware visual features are informative enough to achieve comparable performance to the latest methods when directly used for prediction without further multi-modal fusion.

Deep learning techniques, especially Generative Adversarial Networks (GANs) have significantly improved image inpainting and image-to-image translation tasks over the past few years. To the best of our knowledge, the problem of combining the image inpainting task with the multi-modality image-to-image translation remains intact. In this paper, we propose a model to address this problem. The model will be evaluated on combined night-to-day image translation and inpainting, along with promising qualitative and quantitative results.

Contrastive self-supervised learning methods learn to map data points such as images into non-parametric representation space without requiring labels. While highly successful, current methods require a large amount of data in the training phase. In situations where the target training set is limited in size, generalization is known to be poor. Pretraining on a large source data set and fine-tuning on the target samples is prone to overfitting in the few-shot regime, where only a small number of target samples are available. Motivated by this, we propose a domain adaption method for self-supervised contrastive learning, termed Few-Max, to address the issue of adaptation to a target distribution under few-shot learning. To quantify the representation quality, we evaluate Few-Max on a range of source and target datasets, including ImageNet, VisDA, and fastMRI, on which Few-Max consistently outperforms other approaches.

Recent work has shown the potential of using audio data (eg, cough, breathing, and voice) in the screening for COVID-19. However, these approaches only focus on one-off detection and detect the infection given the current audio sample, but do not monitor disease progression in COVID-19. Limited exploration has been put forward to continuously monitor COVID-19 progression, especially recovery, through longitudinal audio data. Tracking disease progression characteristics could lead to more timely treatment. The primary objective of this study is to explore the potential of longitudinal audio samples over time for COVID-19 progression prediction and, especially, recovery trend prediction using sequential deep learning techniques. Crowdsourced respiratory audio data, including breathing, cough, and voice samples, from 212 individuals over 5-385 days were analyzed. We developed a deep learning-enabled tracking tool using gated recurrent units (GRUs) to detect COVID-19 progression by exploring the audio dynamics of the individuals' historical audio biomarkers. The investigation comprised 2 parts: (1) COVID-19 detection in terms of positive and negative (healthy) tests, and (2) longitudinal disease progression prediction over time in terms of probability of positive tests. The strong performance for COVID-19 detection, yielding an AUROC of 0.79, a sensitivity of 0.75, and a specificity of 0.71 supported the effectiveness of the approach compared to methods that do not leverage longitudinal dynamics. We further examined the predicted disease progression trajectory, displaying high consistency with test results with a correlation of 0.75 in the test cohort and 0.86 in a subset of the test cohort who reported recovery. Our findings suggest that monitoring COVID-19 evolution via longitudinal audio data has potential in the tracking of individuals' disease progression and recovery.

A quadratic approximation of neural network loss landscapes has been extensively used to study the optimization process of these networks. Though, it usually holds in a very small neighborhood of the minimum, it cannot explain many phenomena observed during the optimization process. In this work, we study the structure of neural network loss functions and its implication on optimization in a region beyond the reach of a good quadratic approximation. Numerically, we observe that neural network loss functions possesses a multiscale structure, manifested in two ways: (1) in a neighborhood of minima, the loss mixes a continuum of scales and grows subquadratically, and (2) in a larger region, the loss shows several separate scales clearly. Using the subquadratic growth, we are able to explain the Edge of Stability phenomenon [5] observed for the gradient descent (GD) method. Using the separate scales, we explain the working mechanism of learning rate decay by simple examples. Finally, we study the origin of the multiscale structure and propose that the non-convexity of the models and the non-uniformity of training data is one of the causes. By constructing a two-layer neural network problem we show that training data with different magnitudes give rise to different scales of the loss function, producing subquadratic growth and multiple separate scales.

We propose ADIOS, a masked image model (MIM) framework for self-supervised learning, which simultaneously learns a masking function and an image encoder using an adversarial objective. The image encoder is trained to minimise the distance between representations of the original and that of a masked image. The masking function, conversely, aims at maximising this distance. ADIOS consistently improves on state-of-the-art self-supervised learning (SSL) methods on a variety of tasks and datasets -- including classification on ImageNet100 and STL10, transfer learning on CIFAR10/100, Flowers102 and iNaturalist, as well as robustness evaluated on the backgrounds challenge (Xiao et al., 2021) -- while generating semantically meaningful masks. Unlike modern MIM models such as MAE, BEiT and iBOT, ADIOS does not rely on the image-patch tokenisation construction of Vision Transformers, and can be implemented with convolutional backbones. We further demonstrate that the masks learned by ADIOS are more effective in improving representation learning of SSL methods than masking schemes used in popular MIM models.

Satisfying safety constraints almost surely (or with probability one) can be critical for the deployment of Reinforcement Learning (RL) in real-life applications. For example, plane landing and take-off should ideally occur with probability one. We address the problem by introducing Safety Augmented (Saute) Markov Decision Processes (MDPs), where the safety constraints are eliminated by augmenting them into the state-space and reshaping the objective. We show that Saute MDP satisfies the Bellman equation and moves us closer to solving Safe RL with constraints satisfied almost surely. We argue that Saute MDP allows viewing the Safe RL problem from a different perspective enabling new features. For instance, our approach has a plug-and-play nature, i.e., any RL algorithm can be "Sauteed". Additionally, state augmentation allows for policy generalization across safety constraints. We finally show that Saute RL algorithms can outperform their state-of-the-art counterparts when constraint satisfaction is of high importance.  ( 2 min )

Mixup is an efficient data augmentation method which generates additional samples through respective convex combinations of original data points and labels. Although being theoretically dependent on data properties, Mixup is reported to perform well as a regularizer and calibrator contributing reliable robustness and generalization to neural network training. In this paper, inspired by Universum Learning which uses out-of-class samples to assist the target tasks, we investigate Mixup from a largely under-explored perspective - the potential to generate in-domain samples that belong to none of the target classes, that is, universum. We find that in the framework of supervised contrastive learning, universum-style Mixup produces surprisingly high-quality hard negatives, greatly relieving the need for a large batch size in contrastive learning. With these findings, we propose Universum-inspired Contrastive learning (UniCon), which incorporates Mixup strategy to generate universum data as g-negatives and pushes them apart from anchor samples of the target classes. Our approach not only improves Mixup with hard labels, but also innovates a novel measure to generate universum data. With a linear classifier on the learned representations, our method achieves 81.68% top-1 accuracy on CIFAR-100, surpassing the state of art by a significant margin of 5% with a much smaller batch size, typically, 256 in UniCon vs. 1024 in SupCon using ResNet-50.

Efficient and effective testing for simulation-based hardware verification is challenging. Using constrained random test generation, several millions of tests may be required to achieve coverage goals. The vast majority of tests do not contribute to coverage progress, yet they consume verification resources. In this paper, we propose a hybrid intelligent testing approach combining two methods that have previously been treated separately, namely Coverage-Directed Test Selection and Novelty-Driven Verification. Coverage-Directed Test Selection learns from coverage feedback to bias testing towards the most effective tests. Novelty-Driven Verification learns to identify and simulate stimuli that differ from previous stimuli, thereby reducing the number of simulations and increasing testing efficiency. We discuss the strengths and limitations of each method, and we show how our approach addresses each method's limitations, leading to hardware testing that is both efficient and effective.  ( 2 min )

Purpose : Because functional MRI (fMRI) data sets are in general small, we sought a data efficient approach to resting state fMRI classification of autism spectrum disorder (ASD) versus neurotypical (NT) controls. We hypothesized that a Deep Reinforcement Learning (DRL) classifier could learn effectively on a small fMRI training set. Methods : We trained a Deep Reinforcement Learning (DRL) classifier on 100 graph-label pairs from the Autism Brain Imaging Data Exchange (ABIDE) database. For comparison, we trained a Supervised Deep Learning (SDL) classifier on the same training set. Results : DRL significantly outperformed SDL, with a p-value of 2.4 x 10^(-7). DRL achieved superior results for a variety of classifier performance metrics, including an F1 score of 76, versus 67 for SDL. Whereas SDL quickly overfit the training data, DRL learned in a progressive manner that generalised to the separate testing set. Conclusion : DRL can learn to classify ASD versus NT in a data efficient manner, doing so for a small training set. Future work will involve optimizing the neural network for data efficiency and applying the approach to other fMRI data sets, namely for brain cancer patients.  ( 2 min )

Due to the success of deep learning (DL) and its growing job market, students and researchers from many areas are interested in learning about DL technologies. Visualization has proven to be of great help during this learning process. While most current educational visualizations are targeted towards one specific architecture or use case, recurrent neural networks (RNNs), which are capable of processing sequential data, are not covered yet. This is despite the fact that tasks on sequential data, such as text and function analysis, are at the forefront of DL research. Therefore, we propose exploRNN, the first interactively explorable educational visualization for RNNs. On the basis of making learning easier and more fun, we define educational objectives targeted towards understanding RNNs. We use these objectives to form guidelines for the visual design process. By means of exploRNN, which is accessible online, we provide an overview of the training process of RNNs at a coarse level, while also allowing a detailed inspection of the data flow within LSTM cells. In an empirical study, we assessed 37 subjects in a between-subjects design to investigate the learning outcomes and cognitive load of exploRNN compared to a classic text-based learning environment. While learners in the text group are ahead in superficial knowledge acquisition, exploRNN is particularly helpful for deeper understanding of the learning content. In addition, the complex content in exploRNN is perceived as significantly easier and causes less extraneous load than in the text group. The study shows that for difficult learning material such as recurrent networks, where deep understanding is important, interactive visualizations such as exploRNN can be helpful.

Wireless communication in the TeraHertz band (0.1--10 THz) is envisioned as one of the key enabling technologies for the future sixth generation (6G) wireless communication systems scaled up beyond massive multiple input multiple output (Massive-MIMO) technology. However, very high propagation attenuations and molecular absorptions of THz frequencies often limit the signal transmission distance and coverage range. Benefited from the recent breakthrough on the reconfigurable intelligent surfaces (RIS) for realizing smart radio propagation environment, we propose a novel hybrid beamforming scheme for the multi-hop RIS-assisted communication networks to improve the coverage range at THz-band frequencies. Particularly, multiple passive and controllable RISs are deployed to assist the transmissions between the base station (BS) and multiple single-antenna users. We investigate the joint design of digital beamforming matrix at the BS and analog beamforming matrices at the RISs, by leveraging the recent advances in deep reinforcement learning (DRL) to combat the propagation loss. To improve the convergence of the proposed DRL-based algorithm, two algorithms are then designed to initialize the digital beamforming and the analog beamforming matrices utilizing the alternating optimization technique. Simulation results show that our proposed scheme is able to improve 50\% more coverage range of THz communications compared with the benchmarks. Furthermore, it is also shown that our proposed DRL-based method is a state-of-the-art method to solve the NP-hard beamforming problem, especially when the signals at RIS-assisted THz communication networks experience multiple hops.

Sepsis is a leading cause of death in the ICU. It is a disease requiring complex interventions in a short period of time, but its optimal treatment strategy remains uncertain. Evidence suggests that the practices of currently used treatment strategies are problematic and may cause harm to patients. To address this decision problem, we propose a new medical decision model based on historical data to help clinicians recommend the best reference option for real-time treatment. Our model combines offline reinforcement learning with deep reinforcement learning to address the problem that traditional reinforcement learning in healthcare cannot interact with the environment, enabling our model to make decisions in a continuous state-action space. We demonstrate that, on average, the treatments recommended by the model are more valuable and reliable than those recommended by clinicians. In a large validation dataset, we found that patients whose actual doses from clinicians matched the AI's decisions had the lowest mortality rates. Our model provides personalized, clinically interpretable treatment decisions for sepsis that can improve patient care.

We propose a general formulation of a univariate estimation-of-distribution algorithm (EDA). It naturally incorporates the three classic univariate EDAs \emph{compact genetic algorithm}, \emph{univariate marginal distribution algorithm} and \emph{population-based incremental learning} as well as the \emph{max-min ant system} with iteration-best update. Our unified description of the existing algorithms allows a unified analysis of these; we demonstrate this by providing an analysis of genetic drift that immediately gives the existing results proven separately for the four algorithms named above. Our general model also includes EDAs that are more efficient than the existing ones and these may not be difficult to find as we demonstrate for the OneMax and LeadingOnes benchmarks.

Reducing sensor requirements while keeping optimal control performance is crucial to many industrial control applications to achieve robust, low-cost, and computation-efficient controllers. However, existing feature selection solutions for the typical machine learning domain can hardly be applied in the domain of control with changing dynamics. In this paper, a novel framework, namely the Dual-world embedded Attentive Feature Selection (D-AFS), can efficiently select the most relevant sensors for the system under dynamic control. Rather than the one world used in most Deep Reinforcement Learning (DRL) algorithms, D-AFS has both the real world and its virtual peer with twisted features. By analyzing the DRL's response in two worlds, D-AFS can quantitatively identify respective features' importance towards control. A well-known active flow control problem, cylinder drag reduction, is used for evaluation. Results show that D-AFS successfully finds an optimized five-probes layout with 18.7\% drag reduction than the state-of-the-art solution with 151 probes and 49.2\% reduction than five-probes layout by human experts. We also apply this solution to four OpenAI classical control cases. In all cases, D-AFS achieves the same or better sensor configurations than originally provided solutions. Results highlight, we argued, a new way to achieve efficient and optimal sensor designs for experimental or industrial systems. Our source codes are made publicly available at https://github.com/G-AILab/DAFSFluid.

Fast-developing fields such as Artificial Intelligence (AI) often outpace the efforts of encyclopedic sources such as Wikipedia, which either do not completely cover recently-introduced topics or lack such content entirely. As a result, methods for automatically producing content are valuable tools to address this information overload. We show that recent advances in pretrained language modeling can be combined for a two-stage extractive and abstractive approach for Wikipedia lead paragraph generation. We extend this approach to generate longer Wikipedia-style summaries with sections and examine how such methods struggle in this application through detailed studies with 100 reference human-collected surveys. This is the first study on utilizing web resources for long Wikipedia-style summaries to the best of our knowledge.

To track the target in a video, current visual trackers usually adopt greedy search for target object localization in each frame, that is, the candidate region with the maximum response score will be selected as the tracking result of each frame. However, we found that this may be not an optimal choice, especially when encountering challenging tracking scenarios such as heavy occlusion and fast motion. To address this issue, we propose to maintain multiple tracking trajectories and apply beam search strategy for visual tracking, so that the trajectory with fewer accumulated errors can be identified. Accordingly, this paper introduces a novel multi-agent reinforcement learning based beam search tracking strategy, termed BeamTracking. It is mainly inspired by the image captioning task, which takes an image as input and generates diverse descriptions using beam search algorithm. Accordingly, we formulate the tracking as a sample selection problem fulfilled by multiple parallel decision-making processes, each of which aims at picking out one sample as their tracking result in each frame. Each maintained trajectory is associated with an agent to perform the decision-making and determine what actions should be taken to update related information. When all the frames are processed, we select the trajectory with the maximum accumulated score as the tracking result. Extensive experiments on seven popular tracking benchmark datasets validated the effectiveness of the proposed algorithm.

Large pre-trained models such as CLIP or ALIGN offer consistent accuracy across a range of data distributions when performing zero-shot inference (i.e., without fine-tuning on a specific dataset). Although existing fine-tuning methods substantially improve accuracy on a given target distribution, they often reduce robustness to distribution shifts. We address this tension by introducing a simple and effective method for improving robustness while fine-tuning: ensembling the weights of the zero-shot and fine-tuned models (WiSE-FT). Compared to standard fine-tuning, WiSE-FT provides large accuracy improvements under distribution shift, while preserving high accuracy on the target distribution. On ImageNet and five derived distribution shifts, WiSE-FT improves accuracy under distribution shift by 4 to 6 percentage points (pp) over prior work while increasing ImageNet accuracy by 1.6 pp. WiSE-FT achieves similarly large robustness gains (2 to 23 pp) on a diverse set of six further distribution shifts, and accuracy gains of 0.8 to 3.3 pp compared to standard fine-tuning on seven commonly used transfer learning datasets. These improvements come at no additional computational cost during fine-tuning or inference.

Graph Neural Networks (GNNs) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information from its neighbors using a permutation-invariant aggregation function. Standard well-examined choices such as the mean or sum aggregation functions have limited capabilities, as they are not able to capture interactions among neighbors. In this work, we formalize these interactions using an information-theoretic framework that notably includes synergistic information. Driven by this definition, we introduce the Graph Ordering Attention (GOAT) layer, a novel GNN component that captures interactions between nodes in a neighborhood. This is achieved by learning local node orderings via an attention mechanism and processing the ordered representations using a recurrent neural network aggregator. This design allows us to make use of a permutation-sensitive aggregator while maintaining the permutation-equivariance of the proposed GOAT layer. The GOAT model demonstrates its increased performance in modeling graph metrics that capture complex information, such as the betweenness centrality and the effective size of a node. In practical use-cases, its superior modeling capability is confirmed through its success in several real-world node classification benchmarks.

Classification tasks are usually evaluated in terms of accuracy. However, accuracy is discontinuous and cannot be directly optimized using gradient ascent. Popular methods minimize cross-entropy, Hinge loss, or other surrogate losses, which can lead to suboptimal results. In this paper, we propose a new optimization framework by introducing stochasticity to a model's output and optimizing expected accuracy, i.e. accuracy of the stochastic model. Extensive experiments on image classification show that the proposed optimization method is a powerful alternative to widely used classification losses.

To minimize the average of a set of log-convex functions, the stochastic Newton method iteratively updates its estimate using subsampled versions of the full objective's gradient and Hessian. We contextualize this optimization problem as sequential Bayesian inference on a latent state-space model with a discriminatively-specified observation process. Applying Bayesian filtering then yields a novel optimization algorithm that considers the entire history of gradients and Hessians when forming an update. We establish matrix-based conditions under which the effect of older observations diminishes over time, in a manner analogous to Polyak's heavy ball momentum. We illustrate various aspects of our approach with an example and review other relevant innovations for the stochastic Newton method.

There are currently limited guidelines on designing user interfaces (UI) for immersive augmented reality (AR) applications. Designers must reflect on their experience designing UI for desktop and mobile applications and conjecture how a UI will influence AR users' performance. In this work, we introduce a predictive model for determining users' performance for a target UI without the subsequent involvement of participants in user studies. The model is trained on participants' responses to objective performance measures such as consumed endurance (CE) and pointing time (PT) using hierarchical drop-down menus. Large variability in the depth and context of the menus is ensured by randomly and dynamically creating the hierarchical drop-down menus and associated user tasks from words contained in the lexical database WordNet. Subjective performance bias is reduced by incorporating the users' non-verbal standard performance WAIS-IV during the model training. The semantic information of the menu is encoded using the Universal Sentence Encoder. We present the results of a user study that demonstrates that the proposed predictive model achieves high accuracy in predicting the CE on hierarchical menus of users with various cognitive abilities. To the best of our knowledge, this is the first work on predicting CE in designing UI for immersive AR applications.

The use of autoencoders for shape editing or generation through latent space manipulation suffers from unpredictable changes in the output shape. Our autoencoder-based method enables intuitive shape editing in latent space by disentangling latent sub-spaces into style variables and control points on the surface that can be manipulated independently. The key idea is adding a Lipschitz-type constraint to the loss function, i.e. bounding the change of the output shape proportionally to the change in latent space, leading to interpretable latent space representations. The control points on the surface that are part of the latent code of an object can then be freely moved, allowing for intuitive shape editing directly in latent space. We evaluate our method by comparing to state-of-the-art data-driven shape editing methods. We further demonstrate the expressiveness of our learned latent space by leveraging it for unsupervised part segmentation.

Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle to balance between resisting the oversmoothing occuring in deep models and capturing long-range dependencies graph structured data. Moreover, the complexity of this trade-off is compounded in the heterogeneous graph case due to the disparate heterophily relationships between nodes of different types. To address these issues, we proposed a novel heterogeneous GNN architecture in which layers are derived from optimization steps that descend a novel relation-aware energy function. The corresponding minimizer is fully differentiable with respect to the energy function parameters, such that bilevel optimization can be applied to effectively learn a functional form whose minimum provides optimal node representations for subsequent classification tasks. In particular, this methodology allows us to model diverse heterophily relationships between different node types while avoiding oversmoothing effects. Experimental results on 8 heterogeneous graph benchmarks demonstrates that our proposed method can achieve competitive node classification accuracy.

We consider an object pose estimation and model fitting problem, where - given a partial point cloud of an object - the goal is to estimate the object pose by fitting a CAD model to the sensor data. We solve this problem by combining (i) a semantic keypoint-based pose estimation model, (ii) a novel self-supervised training approach, and (iii) a certification procedure, that not only verifies whether the output produced by the model is correct or not, but also flags uniqueness of the produced solution. The semantic keypoint detector model is initially trained in simulation and does not perform well on real-data due to the domain gap. Our self-supervised training procedure uses a corrector and a certification module to improve the detector. The corrector module corrects the detected keypoints to compensate for the domain gap, and is implemented as a declarative layer, for which we develop a simple differentiation rule. The certification module declares whether the corrected output produced by the model is certifiable (i.e. correct) or not. At each iteration, the approach optimizes over the loss induced only by the certifiable input-output pairs. As training progresses, we see that the fraction of outputs that are certifiable increases, eventually reaching near $100\%$ in many cases. We also introduce the notion of strong certifiability wherein the model can determine if the predicted object model fit is unique or not. The detected semantic keypoints help us implement this in the forward pass. We conduct extensive experiments to evaluate the performance of the corrector, the certification, and the proposed self-supervised training using the ShapeNet and YCB datasets, and show the proposed approach achieves performance comparable to fully supervised baselines while not requiring pose or keypoint supervision on real data.

The long-tailed class distribution in visual recognition tasks poses great challenges for neural networks on how to handle the biased predictions between head and tail classes, i.e., the model tends to classify tail classes as head classes. While existing research focused on data resampling and loss function engineering, in this paper, we take a different perspective: the classification margins. We study the relationship between the margins and logits (classification scores) and empirically observe the biased margins and the biased logits are positively correlated. We propose MARC, a simple yet effective MARgin Calibration function to dynamically calibrate the biased margins for unbiased logits. We validate MARC through extensive experiments on common long-tailed benchmarks including CIFAR-LT, ImageNet-LT, Places-LT, and iNaturalist-LT. Experimental results demonstrate that our MARC achieves favorable results on these benchmarks. In addition, MARC is extremely easy to implement with just three lines of code. We hope this simple method will motivate people to rethink the biased margins and biased logits in long-tailed visual recognition.

Linking neural representations to linguistic factors is crucial in order to build and analyze NLP models interpretable by humans. Among these factors, syntactic roles (e.g. subjects, direct objects,$\dots$) and their realizations are essential markers since they can be understood as a decomposition of predicative structures and thus the meaning of sentences. Starting from a deep probabilistic generative model with attention, we measure the interaction between latent variables and realizations of syntactic roles and show that it is possible to obtain, without supervision, representations of sentences where different syntactic roles correspond to clearly identified different latent variables. The probabilistic model we propose is an Attention-Driven Variational Autoencoder (ADVAE). Drawing inspiration from Transformer-based machine translation models, ADVAEs enable the analysis of the interactions between latent variables and input tokens through attention. We also develop an evaluation protocol to measure disentanglement with regard to the realizations of syntactic roles. This protocol is based on attention maxima for the encoder and on latent variable perturbations for the decoder. Our experiments on raw English text from the SNLI dataset show that $\textit{i)}$ disentanglement of syntactic roles can be induced without supervision, $\textit{ii)}$ ADVAE separates syntactic roles better than classical sequence VAEs and Transformer VAEs, $\textit{iii)}$ realizations of syntactic roles can be separately modified in sentences by mere intervention on the associated latent variables. Our work constitutes a first step towards unsupervised controllable content generation. The code for our work is publicly available.

Decision making algorithms are used in a multitude of different applications. Conventional approaches for designing decision algorithms employ principled and simplified modelling, based on which one can determine decisions via tractable optimization. More recently, deep learning approaches that use highly parametric architectures tuned from data without relying on mathematical models, are becoming increasingly popular. Model-based optimization and data-centric deep learning are often considered to be distinct disciplines. Here, we characterize them as edges of a continuous spectrum varying in specificity and parameterization, and provide a tutorial-style presentation to the methodologies lying in the middle ground of this spectrum, referred to as model-based deep learning. We accompany our presentation with running examples in super-resolution and stochastic control, and show how they are expressed using the provided characterization and specialized in each of the detailed methodologies. The gains of combining model-based optimization and deep learning are demonstrated using experimental results in various applications, ranging from biomedical imaging to digital communications.

Visual question answering (VQA) in surgery is largely unexplored. Expert surgeons are scarce and are often overloaded with clinical and academic workloads. This overload often limits their time answering questionnaires from patients, medical students or junior residents related to surgical procedures. At times, students and junior residents also refrain from asking too many questions during classes to reduce disruption. While computer-aided simulators and recording of past surgical procedures have been made available for them to observe and improve their skills, they still hugely rely on medical experts to answer their questions. Having a Surgical-VQA system as a reliable 'second opinion' could act as a backup and ease the load on the medical experts in answering these questions. The lack of annotated medical data and the presence of domain-specific terms has limited the exploration of VQA for surgical procedures. In this work, we design a Surgical-VQA task that answers questionnaires on surgical procedures based on the surgical scene. Extending the MICCAI endoscopic vision challenge 2018 dataset and workflow recognition dataset further, we introduce two Surgical-VQA datasets with classification and sentence-based answers. To perform Surgical-VQA, we employ vision-text transformers models. We further introduce a residual MLP-based VisualBert encoder model that enforces interaction between visual and text tokens, improving performance in classification-based answering. Furthermore, we study the influence of the number of input image patches and temporal visual features on the model performance in both classification and sentence-based answering.

Dropout is one of the most popular regularization techniques in neural network training. Because of its power and simplicity of idea, dropout has been analyzed extensively and many variants have been proposed. In this paper, several properties of dropout are discussed in a unified manner from the viewpoint of information geometry. We showed that dropout flattens the model manifold and that their regularization performance depends on the amount of the curvature. Then, we showed that dropout essentially corresponds to a regularization that depends on the Fisher information, and support this result from numerical experiments. Such a theoretical analysis of the technique from a different perspective is expected to greatly assist in the understanding of neural networks, which are still in their infancy.

We present World of Bugs (WOB), an open platform that aims to support Automated Bug Detection (ABD) research in video games. We discuss some open problems in ABD and how they relate to the platform's design, arguing that learning-based solutions are required if further progress is to be made. The platform's key feature is a growing collection of common video game bugs that may be used for training and evaluating ABD approaches.

Multi-task learning (MTL) has emerged as a promising topic of machine learning in recent years, aiming to enhance the performance of numerous related learning tasks by exploiting beneficial information. During the training phase, most of the existing multi-task learning models concentrate entirely on the target task data and ignore the non-target task data contained in the target tasks. To address this issue, Universum data, that do not correspond to any class of a classification problem, may be used as prior knowledge in the training model. This study looks at the challenge of multi-task learning using Universum data to employ non-target task data, which leads to better performance. It proposes a multi-task twin support vector machine with Universum data (UMTSVM) and provides two approaches to its solution. The first approach takes into account the dual formulation of UMTSVM and tries to solve a quadratic programming problem. The second approach formulates a least-squares version of UMTSVM and refers to it as LS-UMTSVM to further increase the generalization performance. The solution of the two primal problems in LS-UMTSVM is simplified to solving just two systems of linear equations, resulting in an incredibly simple and quick approach. Numerical experiments on several popular multi-task data sets and medical data sets demonstrate the efficiency of the proposed methods.

Reinforcement learning (RL) provides a powerful framework for decision-making, but its application in practice often requires a carefully designed reward function. Adversarial Imitation Learning (AIL) sheds light on automatic policy acquisition without access to the reward signal from the environment. In this work, we propose Auto-Encoding Adversarial Imitation Learning (AEAIL), a robust and scalable AIL framework. To induce expert policies from demonstrations, AEAIL utilizes the reconstruction error of an auto-encoder as a reward signal, which provides more information for optimizing policies than the prior discriminator-based ones. Subsequently, we use the derived objective functions to train the auto-encoder and the agent policy. Experiments show that our AEAIL performs superior compared to state-of-the-art methods in the MuJoCo environments. More importantly, AEAIL shows much better robustness when the expert demonstrations are noisy. Specifically, our method achieves $16.4\%$ and $47.2\%$ relative improvement overall compared to the best baseline FAIRL and PWIL on clean and noisy expert data, respectively. Video results, open-source code and dataset are available in https://sites.google.com/view/auto-encoding-imitation.

Across applications spanning supervised classification and sequential control, deep learning has been reported to find "shortcut" solutions that fail catastrophically under minor changes in the data distribution. In this paper, we show empirically that DNNs can be coaxed to avoid poor shortcuts by providing an additional "priming" feature computed from key input features, usually a coarse output estimate. Priming relies on approximate domain knowledge of these task-relevant key input features, which is often easy to obtain in practical settings. For example, one might prioritize recent frames over past frames in a video input for visual imitation learning, or salient foreground over background pixels for image classification. On NICO image classification, MuJoCo continuous control, and CARLA autonomous driving, our priming strategy works significantly better than several popular state-of-the-art approaches for feature selection and data augmentation. We connect these empirical findings to recent theoretical results on DNN optimization, and argue theoretically that priming distracts the optimizer away from poor shortcuts by creating better, simpler shortcuts.

Objectives: To compare artificial intelligence (AI) as a second reader in detecting lung nodules on chest X-rays (CXR) versus radiologists of two binational institutions, and to evaluate AI performance when using two different modes: automated versus assisted (additional remote radiologist review). Methods: The CXR public database (n = 247) of the Japanese Society of Radiological Technology with various types and sizes of lung nodules was analyzed. Eight radiologists evaluated the CXR images with regard to the presence of lung nodules and nodule conspicuity. After radiologist review, the AI software processed and flagged the CXR with the highest probability of missed nodules. The calculated accuracy metrics were the area under the curve (AUC), sensitivity, specificity, F1 score, false negative case number (FN), and the effect of different AI modes (automated/assisted) on the accuracy of nodule detection. Results: For radiologists, the average AUC value was 0.77 $\pm$ 0.07, while the average FN was 52.63 $\pm$ 17.53 (all studies) and 32 $\pm$ 11.59 (studies containing a nodule of malignant etiology = 32% rate of missed malignant nodules). Both AI modes -- automated and assisted -- produced an average increase in sensitivity (by 14% and 12%) and of F1-score (5% and 6%) and a decrease in specificity (by 10% and 3%, respectively). Conclusions: Both AI modes flagged the pulmonary nodules missed by radiologists in a significant number of cases. AI as a second reader has a high potential to improve diagnostic accuracy and radiology workflow. AI might detect certain pulmonary nodules earlier than radiologists, with a potentially significant impact on patient outcomes.

Implicit generative models, which do not return likelihood values, such as generative adversarial networks and diffusion models, have become prevalent in recent years. While it is true that these models have shown remarkable results, evaluating their performance is challenging. This issue is of vital importance to push research forward and identify meaningful gains from random noise. Currently, heuristic metrics such as the Inception score (IS) and Frechet Inception Distance (FID) are the most common evaluation metrics, but what they measure is not entirely clear. Additionally, there are questions regarding how meaningful their score actually is. In this work, we study the evaluation metrics of generative models by generating a high-quality synthetic dataset on which we can estimate classical metrics for comparison. Our study shows that while FID and IS do correlate to several f-divergences, their ranking of close models can vary considerably making them problematic when used for fain-grained comparison. We further used this experimental setting to study which evaluation metric best correlates with our probabilistic metrics. Lastly, we look into the base features used for metrics such as FID.

We tackle the problem of group fairness in classification, where the objective is to learn models that do not unjustly discriminate against subgroups of the population. Most existing approaches are limited to simple binary tasks or involve difficult to implement training mechanisms. This reduces their practical applicability. In this paper, we propose FairGrad, a method to enforce fairness based on a reweighting scheme that iteratively learns group specific weights based on whether they are advantaged or not. FairGrad is easy to implement and can accommodate various standard fairness definitions. Furthermore, we show that it is comparable to standard baselines over various datasets including ones used in natural language processing and computer vision.

The job of Radiation oncologists is to deliver x-ray beams pointed toward the tumor and at the same time avoid the stomach and intestines. With MR-Linacs (magnetic resonance imaging and linear accelerator systems), oncologists can visualize the position of the tumor and allow for precise dose according to tumor cell presence which can vary from day to day. The current job of outlining the position of the stomach and intestines to adjust the X-ray beams direction for the dose delivery to the tumor while avoiding the organs. This is a time-consuming and labor-intensive process that can easily prolong treatments from 15 minutes to an hour a day unless deep learning methods can automate the segmentation process. This paper discusses an automated segmentation process using deep learning to make this process faster and allow more patients to get effective treatment.

Defect prediction is one of the most popular research topics due to its potential to minimize software quality assurance efforts. Existing approaches have examined defect prediction from various perspectives such as complexity and developer metrics. However, none of these consider programming style for defect prediction. This paper aims at analyzing the impact of stylistic metrics on both within-project and crossproject defect prediction. For prediction, 4 widely used machine learning algorithms namely Naive Bayes, Support Vector Machine, Decision Tree and Logistic Regression are used. The experiment is conducted on 14 releases of 5 popular, open source projects. F1, Precision and Recall are inspected to evaluate the results. Results reveal that stylistic metrics are a good predictor of defects.

Federated Learning (FL) is a machine learning paradigm to distributively learn machine learning models from decentralized data that remains on-device. Despite the success of standard Federated optimization methods, such as Federated Averaging (FedAvg) in FL, the energy demands and hardware induced constraints for on-device learning have not been considered sufficiently in the literature. Specifically, an essential demand for on-device learning is to enable trained models to be quantized to various bit-widths based on the energy needs and heterogeneous hardware designs across the federation. In this work, we introduce multiple variants of federated averaging algorithm that train neural networks robust to quantization. Such networks can be quantized to various bit-widths with only limited reduction in full precision model accuracy. We perform extensive experiments on standard FL benchmarks to evaluate our proposed FedAvg variants for quantization robustness and provide a convergence analysis for our Quantization-Aware variants in FL. Our results demonstrate that integrating quantization robustness results in FL models that are significantly more robust to different bit-widths during quantized on-device inference.

Federated Learning enables multiple data centers to train a central model collaboratively without exposing any confidential data. Even though deterministic models are capable of performing high prediction accuracy, their lack of calibration and capability to quantify uncertainty is problematic for safety-critical applications. Different from deterministic models, probabilistic models such as Bayesian neural networks are relatively well-calibrated and able to quantify uncertainty alongside their competitive prediction accuracy. Both of the approaches appear in the federated learning framework; however, the aggregation scheme of deterministic models cannot be directly applied to probabilistic models since weights correspond to distributions instead of point estimates. In this work, we study the effects of various aggregation schemes for variational Bayesian neural networks. With empirical results on three image classification datasets, we observe that the degree of spread for an aggregated distribution is a significant factor in the learning process. Hence, we present an investigation on the question of how to combine variational Bayesian networks in federated learning, while providing benchmarks for different aggregation settings.

We give the first polynomial time algorithm for \emph{list-decodable covariance estimation}. For any $\alpha > 0$, our algorithm takes input a sample $Y \subseteq \mathbb{R}^d$ of size $n\geq d^{\mathsf{poly}(1/\alpha)}$ obtained by adversarially corrupting an $(1-\alpha)n$ points in an i.i.d. sample $X$ of size $n$ from the Gaussian distribution with unknown mean $\mu_*$ and covariance $\Sigma_*$. In $n^{\mathsf{poly}(1/\alpha)}$ time, it outputs a constant-size list of $k = k(\alpha)= (1/\alpha)^{\mathsf{poly}(1/\alpha)}$ candidate parameters that, with high probability, contains a $(\hat{\mu},\hat{\Sigma})$ such that the total variation distance $TV(\mathcal{N}(\mu_*,\Sigma_*),\mathcal{N}(\hat{\mu},\hat{\Sigma}))<1-O_{\alpha}(1)$. This is the statistically strongest notion of distance and implies multiplicative spectral and relative Frobenius distance approximation for parameters with dimension independent error. Our algorithm works more generally for $(1-\alpha)$-corruptions of any distribution $D$ that possesses low-degree sum-of-squares certificates of two natural analytic properties: 1) anti-concentration of one-dimensional marginals and 2) hypercontractivity of degree 2 polynomials. Prior to our work, the only known results for estimating covariance in the list-decodable setting were for the special cases of list-decodable linear regression and subspace recovery due to Karmarkar, Klivans, and Kothari (2019), Raghavendra and Yau (2019 and 2020) and Bakshi and Kothari (2020). These results need superpolynomial time for obtaining any subconstant error in the underlying dimension. Our result implies the first polynomial-time \emph{exact} algorithm for list-decodable linear regression and subspace recovery that allows, in particular, to obtain $2^{-\mathsf{poly}(d)}$ error in polynomial-time. Our result also implies an improved algorithm for clustering non-spherical mixtures.

Deep neural networks implement a sequence of layer-by-layer operations that are each relatively easy to understand, but the resulting overall computation is generally difficult to understand. We develop a simple idea for interpreting the layer-by-layer construction of useful representations: the role of each layer is to reformat information to reduce the "distance" to the target outputs. We formalize this intuitive idea of "distance" by leveraging recent work on metric representational similarity, and show how it leads to a rich space of geometric concepts. With this framework, the layer-wise computation implemented by a deep neural network can be viewed as a path in a high-dimensional representation space. We develop tools to characterize the geometry of these in terms of distances, angles, and geodesics. We then ask three sets of questions of residual networks trained on CIFAR-10: (1) how straight are paths, and how does each layer contribute towards the target? (2) how do these properties emerge over training? and (3) how similar are the paths taken by wider versus deeper networks? We conclude by sketching additional ways that this kind of representational geometry can be used to understand and interpret network training, or to prescriptively improve network architectures to suit a task.

Protecting the Intellectual Property rights of DNN models is of primary importance prior to their deployment. So far, the proposed methods either necessitate changes to internal model parameters or the machine learning pipeline, or they fail to meet both the security and robustness requirements. This paper proposes a lightweight, robust, and secure black-box DNN watermarking protocol that takes advantage of cryptographic one-way functions as well as the injection of in-task key image-label pairs during the training process. These pairs are later used to prove DNN model ownership during testing. The main feature is that the value of the proof and its security are measurable. The extensive experiments watermarking image classification models for various datasets as well as exposing them to a variety of attacks, show that it provides protection while maintaining an adequate level of security and robustness.

In this paper, we propose a novel guided diffusion purification approach to provide a strong defense against adversarial attacks. Our model achieves 89.62% robust accuracy under PGD-L_inf attack (eps = 8/255) on the CIFAR-10 dataset. We first explore the essential correlations between unguided diffusion models and randomized smoothing, enabling us to apply the models to certified robustness. The empirical results show that our models outperform randomized smoothing by 5% when the certified L2 radius r is larger than 0.5.

To safely and rationally participate in dense and heterogeneous traffic, autonomous vehicles require to sufficiently analyze the motion patterns of surrounding traffic-agents and accurately predict their future trajectories. This is challenging because the trajectories of traffic-agents are not only influenced by the traffic-agents themselves but also by spatial interaction with each other. Previous methods usually rely on the sequential step-by-step processing of Long Short-Term Memory networks (LSTMs) and merely extract the interactions between spatial neighbors for single type traffic-agents. We propose the Spatio-Temporal Transformer Networks (S2TNet), which models the spatio-temporal interactions by spatio-temporal Transformer and deals with the temporel sequences by temporal Transformer. We input additional category, shape and heading information into our networks to handle the heterogeneity of traffic-agents. The proposed methods outperforms state-of-the-art methods on ApolloScape Trajectory dataset by more than 7\% on both the weighted sum of Average and Final Displacement Error. Our code is available at https://github.com/chenghuang66/s2tnet.

Recent works have shown the ability of Implicit Neural Representations (INR) to carry meaningful representations of signal derivatives. In this work, we leverage this property to perform Video Frame Interpolation (VFI) by explicitly constraining the derivatives of the INR to satisfy the optical flow constraint equation. We achieve state of the art VFI on limited motion ranges using only a target video and its optical flow, without learning the interpolation operator from additional training data. We further show that constraining the INR derivatives not only allows to better interpolate intermediate frames but also improves the ability of narrow networks to fit the observed frames, which suggests potential applications to video compression and INR optimization.

The prediction of traffic congestion can serve a crucial role in making future decisions. Although many studies have been conducted regarding congestion, most of these could not cover all the important factors (e.g., weather conditions). We proposed a prediction model for traffic congestion that can predict congestion based on day, time and several weather data (e.g., temperature, humidity). To evaluate our model, it has been tested against the traffic data of New Delhi. With this model, congestion of a road can be predicted one week ahead with an average RMSE of 1.12. Therefore, this model can be used to take preventive measure beforehand.

We present a novel way of conditioning a pretrained denoising diffusion speech model to produce speech in the voice of a novel person unseen during training. The method requires a short (~3 seconds) sample from the target person, and generation is steered at inference time, without any training steps. At the heart of the method lies a sampling process that combines the estimation of the denoising model with a low-pass version of the new speaker's sample. The objective and subjective evaluations show that our sampling method can generate a voice similar to that of the target speaker in terms of frequency, with an accuracy comparable to state-of-the-art methods, and without training.

Learning to cooperate with other agents is challenging when those agents also possess the ability to adapt to our own behavior. Practical and theoretical approaches to learning in cooperative settings typically assume that other agents' behaviors are stationary, or else make very specific assumptions about other agents' learning processes. The goal of this work is to understand whether we can reliably learn to cooperate with other agents without such restrictive assumptions, which are unlikely to hold in real-world applications. Our main contribution is a set of impossibility results, which show that no learning algorithm can reliably learn to cooperate with all possible adaptive partners in a repeated matrix game, even if that partner is guaranteed to cooperate with some stationary strategy. Motivated by these results, we then discuss potential alternative assumptions which capture the idea that an adaptive partner will only adapt rationally to our behavior.

Decision-making is challenging in robotics environments with continuous object-centric states, continuous actions, long horizons, and sparse feedback. Hierarchical approaches, such as task and motion planning (TAMP), address these challenges by decomposing decision-making into two or more levels of abstraction. In a setting where demonstrations and symbolic predicates are given, prior work has shown how to learn symbolic operators and neural samplers for TAMP with manually designed parameterized policies. Our main contribution is a method for learning parameterized polices in combination with operators and samplers. These components are packaged into modular neuro-symbolic skills and sequenced together with search-then-sample TAMP to solve new tasks. In experiments in four robotics domains, we show that our approach -- bilevel planning with neuro-symbolic skills -- can solve a wide range of tasks with varying initial states, goals, and objects, outperforming six baselines and ablations. Video: https://youtu.be/PbFZP8rPuGg Code: https://tinyurl.com/skill-learning

Whether the Millennials are less auto-centric than the previous generations has been widely discussed in the literature. Most existing studies use regression models and assume that all factors are linear-additive in contributing to the young adults' driving behaviors. This study relaxes this assumption by applying a non-parametric statistical learning method, namely the gradient boosting decision trees (GBDT). Using U.S. nationwide travel surveys for 2001 and 2017, this study examines the non-linear dose-response effects of lifecycle, socio-demographic and residential factors on daily driving distances of Millennial and Gen-X young adults. Holding all other factors constant, Millennial young adults had shorter predicted daily driving distances than their Gen-X counterparts. Besides, residential and economic factors explain around 50% of young adults' daily driving distances, while the collective contributions for life course events and demographics are about 33%. This study also identifies the density ranges for formulating effective land use policies aiming at reducing automobile travel demand.

ML models deployed in production often have to face unknown domain changes, fundamentally different from their training settings. Performance prediction models carry out the crucial task of measuring the impact of these changes on model performance. We study the generalization capabilities of various performance prediction models to new domains by learning on generated synthetic perturbations. Empirical validation on a benchmark of ten tabular datasets shows that models based upon state-of-the-art shift detection metrics are not expressive enough to generalize to unseen domains, while Error Predictors bring a consistent improvement in performance prediction under shift. We additionally propose a natural and effortless uncertainty estimation of the predicted accuracy that ensures reliable use of performance predictors. Our implementation is available at https: //github.com/dataiku-research/performance_prediction_under_shift.

We focus on bridging domain discrepancy in lane detection among different scenarios to greatly reduce extra annotation and re-training costs for autonomous driving. Critical factors hinder the performance improvement of cross-domain lane detection that conventional methods only focus on pixel-wise loss while ignoring shape and position priors of lanes. To address the issue, we propose the Multi-level Domain Adaptation (MLDA) framework, a new perspective to handle cross-domain lane detection at three complementary semantic levels of pixel, instance and category. Specifically, at pixel level, we propose to apply cross-class confidence constraints in self-training to tackle the imbalanced confidence distribution of lane and background. At instance level, we go beyond pixels to treat segmented lanes as instances and facilitate discriminative features in target domain with triplet learning, which effectively rebuilds the semantic context of lanes and contributes to alleviating the feature confusion. At category level, we propose an adaptive inter-domain embedding module to utilize the position prior of lanes during adaptation. In two challenging datasets, ie TuSimple and CULane, our approach improves lane detection performance by a large margin with gains of 8.8% on accuracy and 7.4% on F1-score respectively, compared with state-of-the-art domain adaptation algorithms.

Gaussian Processes (GPs) are highly expressive, probabilistic models. A major limitation is their computational complexity. Naively, exact GP inference requires $\mathcal{O}(N^3)$ computations with $N$ denoting the number of modeled points. Current approaches to overcome this limitation either rely on sparse, structured or stochastic representations of data or kernel respectively and usually involve nested optimizations to evaluate a GP. We present a new, generative method named Iterative Charted Refinement (ICR) to model GPs on nearly arbitrarily spaced points in $\mathcal{O}(N)$ time for decaying kernels without nested optimizations. ICR represents long- as well as short-range correlations by combining views of the modeled locations at varying resolutions with a user-provided coordinate chart. In our experiment with points whose spacings vary over two orders of magnitude, ICR's accuracy is comparable to state-of-the-art GP methods. ICR outperforms existing methods in terms of computational speed by one order of magnitude on the CPU and GPU and has already been successfully applied to model a GP with $122$ billion parameters.

Nearly all state of the art vision models are sensitive to image rotations. Existing methods often compensate for missing inductive biases by using augmented training data to learn pseudo-invariances. Alongside the resource demanding data inflation process, predictions often poorly generalize. The inductive biases inherent to convolutional neural networks allow for translation equivariance through kernels acting parallely to the horizontal and vertical axes of the pixel grid. This inductive bias, however, does not allow for rotation equivariance. We propose a radial beam sampling strategy along with radial kernels operating on these beams to inherently incorporate center-rotation covariance. Together with an angle distance loss, we present a radial beam-based image canonicalization model, short BIC. Our model allows for maximal continuous angle regression and canonicalizes arbitrary center-rotated input images. As a pre-processing model, this enables rotation-invariant vision pipelines with model-agnostic rotation-sensitive downstream predictions. We show that our end-to-end trained angle regressor is able to predict continuous rotation angles on several vision datasets, i.e. FashionMNIST, CIFAR10, COIL100, and LFW.

We present Transformation Invariance and Covariance Contrast (TiCo) for self-supervised visual representation learning. Similar to other recent self-supervised learning methods, our method is based on maximizing the agreement among embeddings of different distorted versions of the same image, which pushes the encoder to produce transformation invariant representations. To avoid the trivial solution where the encoder generates constant vectors, we regularize the covariance matrix of the embeddings from different images by penalizing low rank solutions. By jointly minimizing the transformation invariance loss and covariance contrast loss, we get an encoder that is able to produce useful representations for downstream tasks. We analyze our method and show that it can be viewed as a variant of MoCo with an implicit memory bank of unlimited size at no extra memory cost. This makes our method perform better than alternative methods when using small batch sizes. TiCo can also be seen as a modification of Barlow Twins. By connecting the contrastive and redundancy-reduction methods together, TiCo gives us new insights into how joint embedding methods work.

Avoiding over-pressurization in subsurface reservoirs is critical for applications like CO2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are challenging because of complex heterogeneity in the subsurface. The heterogeneity typically requires high-fidelity physics-based models to make predictions on CO$_2$ fate. Furthermore, characterizing the heterogeneity accurately is fraught with parametric uncertainty. Accounting for both, heterogeneity and uncertainty, makes this a computationally-intensive problem challenging for current reservoir simulators. To tackle this, we use differentiable programming with a full-physics model and machine learning to determine the fluid extraction rates that prevent over-pressurization at critical reservoir locations. We use DPFEHM framework, which has trustworthy physics based on the standard two-point flux finite volume discretization and is also automatically differentiable like machine learning models. Our physics-informed machine learning framework uses convolutional neural networks to learn an appropriate extraction rate based on the permeability field. We also perform a hyperparameter search to improve the model's accuracy. Training and testing scenarios are executed to evaluate the feasibility of using physics-informed machine learning to manage reservoir pressures. We constructed and tested a sufficiently accurate simulator that is 400000 times faster than the underlying physics-based simulator, allowing for near real-time analysis and robust uncertainty quantification.

We propose a novel Dynamic Restrained Uncertainty Weighting Loss to experimentally handle the problem of balancing the contributions of multiple tasks on the ICML ExVo 2022 Challenge. The multitask aims to recognize expressed emotions and demographic traits from vocal bursts jointly. Our strategy combines the advantages of Uncertainty Weight and Dynamic Weight Average, by extending weights with a restraint term to make the learning process more explainable. We use a lightweight multi-exit CNN architecture to implement our proposed loss approach. The experimental H-Mean score (0.394) shows a substantial improvement over the baseline H-Mean score (0.335).  ( 2 min )

Neural networks are prone to be biased towards spurious correlations between classes and latent attributes exhibited in a major portion of training data, which ruins their generalization capability. This paper proposes a new method for training debiased classifiers with no spurious attribute label. The key idea of the method is to employ a committee of classifiers as an auxiliary module that identifies bias-conflicting data, i.e., data without spurious correlations, and assigns large weights to them when training the main classifier. The committee is learned as a bootstrapped ensemble so that a majority of its classifiers are biased as well as being diverse, and intentionally fail to predict classes of bias-conflicting data accordingly. The consensus within the committee on prediction difficulty thus provides a reliable cue for identifying and weighting bias-conflicting data. Moreover, the committee is also trained with knowledge transferred from the main classifier so that it gradually becomes debiased along with the main classifier and emphasizes more difficult data as training progresses. On five real-world datasets, our method outperforms existing methods using no spurious attribute label like ours and even surpasses those relying on bias labels occasionally.  ( 2 min )

The latest trends in inverse rendering techniques for reconstruction use neural networks to learn 3D representations as neural fields. NeRF-based techniques fit multi-layer perceptrons (MLPs) to a set of training images to estimate a radiance field which can then be rendered from any virtual camera by means of volume rendering algorithms. Major drawbacks of these representations are the lack of well-defined surfaces and non-interactive rendering times, as wide and deep MLPs must be queried millions of times per single frame. These limitations have recently been singularly overcome, but managing to accomplish this simultaneously opens up new use cases. We present KiloNeuS, a new neural object representation that can be rendered in path-traced scenes at interactive frame rates. KiloNeuS enables the simulation of realistic light interactions between neural and classic primitives in shared scenes, and it demonstrably performs in real-time with plenty of room for future optimizations and extensions.  ( 2 min )

In federated learning (FL), the objective of collaboratively learning a global model through aggregation of model updates across devices tends to oppose the goal of personalization via local information. In this work, we calibrate this tradeoff in a quantitative manner through a multi-criterion optimization-based framework, which we cast as a constrained program: the objective for a device is its local objective, which it seeks to minimize while satisfying nonlinear constraints that quantify the proximity between the local and the global model. By considering the Lagrangian relaxation of this problem, we develop an algorithm that allows each node to minimize its local component of Lagrangian through queries to a first-order gradient oracle. Then, the server executes Lagrange multiplier ascent steps followed by a Lagrange multiplier-weighted averaging step. We call this instantiation of the primal-dual method Federated Learning Beyond Consensus ($\texttt{FedBC}$). Theoretically, we establish that $\texttt{FedBC}$ converges to a first-order stationary point at rates that matches the state of the art, up to an additional error term that depends on the tolerance parameter that arises due to the proximity constraints. Overall, the analysis is a novel characterization of primal-dual methods applied to non-convex saddle point problems with nonlinear constraints. Finally, we demonstrate that $\texttt{FedBC}$ balances the global and local model test accuracy metrics across a suite of datasets (Synthetic, MNIST, CIFAR-10, Shakespeare), achieving competitive performance with the state of the art.  ( 3 min )

In this paper, we introduce super-modular $\mf$-divergences and provide three applications for them: (i) we introduce Sanov's upper bound on the tail probability of sum of independent random variables based on super-modular $\mf$-divergence and show that our generalized Sanov's bound strictly improves over ordinary one, (ii) we consider the lossy compression problem which studies the set of achievable rates for a given distortion and code length. We extend the rate-distortion function using mutual $\mf$-information and provide new and strictly better bounds on achievable rates in the finite blocklength regime using super-modular $\mf$-divergences, and (iii) we provide a connection between the generalization error of algorithms with bounded input/output mutual $\mf$-information and a generalized rate-distortion problem. This connection allows us to bound the generalization error of learning algorithms using lower bounds on the rate-distortion function. Our bound is based on a new lower bound on the rate-distortion function that (for some examples) strictly improves over previously best-known bounds. Moreover, super-modular $\mf$-divergences are utilized to reduce the dimension of the problem and obtain single-letter bounds.

We introduce POGEMA (https://github.com/AIRI-Institute/pogema) a sandbox for challenging partially observable multi-agent pathfinding (PO-MAPF) problems . This is a grid-based environment that was specifically designed to be a flexible, tunable and scalable benchmark. It can be tailored to a variety of PO-MAPF, which can serve as an excellent testing ground for planning and learning methods, and their combination, which will allow us to move towards filling the gap between AI planning and learning.  ( 2 min )

Over the last years, supervised learning (SL) has established itself as the state-of-the-art for data-driven turbulence modeling. In the SL paradigm, models are trained based on a dataset, which is typically computed a priori from a high-fidelity solution by applying the respective filter function, which separates the resolved and the unresolved flow scales. For implicitly filtered large eddy simulation (LES), this approach is infeasible, since here, the employed discretization itself acts as an implicit filter function. As a consequence, the exact filter form is generally not known and thus, the corresponding closure terms cannot be computed even if the full solution is available. The reinforcement learning (RL) paradigm can be used to avoid this inconsistency by training not on a previously obtained training dataset, but instead by interacting directly with the dynamical LES environment itself. This allows to incorporate the potentially complex implicit LES filter into the training process by design. In this work, we apply a reinforcement learning framework to find an optimal eddy-viscosity for implicitly filtered large eddy simulations of forced homogeneous isotropic turbulence. For this, we formulate the task of turbulence modeling as an RL task with a policy network based on convolutional neural networks that adapts the eddy-viscosity in LES dynamically in space and time based on the local flow state only. We demonstrate that the trained models can provide long-term stable simulations and that they outperform established analytical models in terms of accuracy. In addition, the models generalize well to other resolutions and discretizations. We thus demonstrate that RL can provide a framework for consistent, accurate and stable turbulence modeling especially for implicitly filtered LES.  ( 3 min )

Universal Adversarial Perturbations (UAPs) are imperceptible, image-agnostic vectors that cause deep neural networks (DNNs) to misclassify inputs from a data distribution with high probability. Existing methods do not create UAPs robust to transformations, thereby limiting their applicability as a real-world attacks. In this work, we introduce a new concept and formulation of robust universal adversarial perturbations. Based on our formulation, we build a novel, iterative algorithm that leverages probabilistic robustness bounds for generating UAPs robust against transformations generated by composing arbitrary sub-differentiable transformation functions. We perform an extensive evaluation on the popular CIFAR-10 and ILSVRC 2012 datasets measuring robustness under human-interpretable semantic transformations, such as rotation, contrast changes, etc, that are common in the real-world. Our results show that our generated UAPs are significantly more robust than those from baselines.  ( 2 min )

Deep learning techniques show success in detecting objects in medical images, but still suffer from false-positive predictions that may hinder accurate diagnosis. The estimated uncertainty of the neural network output has been used to flag incorrect predictions. We study the role played by features computed from neural network uncertainty estimates and shape-based features computed from binary predictions in reducing false positives in liver lesion detection by developing a classification-based post-processing step for different uncertainty estimation methods. We demonstrate an improvement in the lesion detection performance of the neural network (with respect to F1-score) for all uncertainty estimation methods on two datasets, comprising abdominal MR and CT images respectively. We show that features computed from neural network uncertainty estimates tend not to contribute much toward reducing false positives. Our results show that factors like class imbalance (true over false positive ratio) and shape-based features extracted from uncertainty maps play an important role in distinguishing false positive from true positive predictions

Dynamical systems minimizing an energy are ubiquitous in geometry and physics. We propose a gradient flow framework for GNNs where the equations follow the direction of steepest descent of a learnable energy. This approach allows to explain the GNN evolution from a multi-particle perspective as learning attractive and repulsive forces in feature space via the positive and negative eigenvalues of a symmetric "channel-mixing" matrix. We perform spectral analysis of the solutions and conclude that gradient flow graph convolutional models can induce a dynamics dominated by the graph high frequencies which is desirable for heterophilic datasets. We also describe structural constraints on common GNN architectures allowing to interpret them as gradient flows. We perform thorough ablation studies corroborating our theoretical analysis and show competitive performance of simple and lightweight models on real-world homophilic and heterophilic datasets.

We present a novel graph neural network we call AgentNet, which is designed specifically for graph-level tasks. AgentNet is inspired by sublinear algorithms, featuring a computational complexity that is independent of the graph size. The architecture of AgentNet differs fundamentally from the architectures of known graph neural networks. In AgentNet, some trained \textit{neural agents} intelligently walk the graph, and then collectively decide on the output. We provide an extensive theoretical analysis of AgentNet: We show that the agents can learn to systematically explore their neighborhood and that AgentNet can distinguish some structures that are even indistinguishable by 3-WL. Moreover, AgentNet is able to separate any two graphs which are sufficiently different in terms of subgraphs. We confirm these theoretical results with synthetic experiments on hard-to-distinguish graphs and real-world graph classification tasks. In both cases, we compare favorably not only to standard GNNs but also to computationally more expensive GNN extensions.

Speech enhancement has seen great improvement in recent years using end-to-end neural networks. However, most models are agnostic to the spoken phonetic content. Recently, several studies suggested phonetic-aware speech enhancement, mostly using perceptual supervision. Yet, injecting phonetic features during model optimization can take additional forms (e.g., model conditioning). In this paper, we conduct a systematic comparison between different methods of incorporating phonetic information in a speech enhancement model. By conducting a series of controlled experiments, we observe the influence of different phonetic content models as well as various feature-injection techniques on enhancement performance, considering both causal and non-causal models. Specifically, we evaluate three settings for injecting phonetic information, namely: i) feature conditioning; ii) perceptual supervision; and iii) regularization. Phonetic features are obtained using an intermediate layer of either a supervised pre-trained Automatic Speech Recognition (ASR) model or by using a pre-trained Self-Supervised Learning (SSL) model. We further observe the effect of choosing different embedding layers on performance, considering both manual and learned configurations. Results suggest that using a SSL model as phonetic features outperforms the ASR one in most cases. Interestingly, the conditioning setting performs best among the evaluated configurations.  ( 2 min )

Bilevel optimization have gained growing interests, with numerous applications found in meta learning, minimax games, reinforcement learning, and nested composition optimization. This paper studies the problem of distributed bilevel optimization over a network where agents can only communicate with neighbors, including examples from multi-task, multi-agent learning and federated learning. In this paper, we propose a gossip-based distributed bilevel learning algorithm that allows networked agents to solve both the inner and outer optimization problems in a single timescale and share information via network propagation. We show that our algorithm enjoys the $\mathcal{O}(\frac{1}{K \epsilon^2})$ per-agent sample complexity for general nonconvex bilevel optimization and $\mathcal{O}(\frac{1}{K \epsilon})$ for strongly convex objective, achieving a speedup that scales linearly with the network size. The sample complexities are optimal in both $\epsilon$ and $K$. We test our algorithm on the examples of hyperparameter tuning and decentralized reinforcement learning. Simulated experiments confirmed that our algorithm achieves the state-of-the-art training efficiency and test accuracy.  ( 2 min )

More than two years after its outbreak, the COVID-19 pandemic continues to plague medical systems around the world, putting a strain on scarce resources, and claiming human lives. From the very beginning, various AI-based COVID-19 detection and monitoring tools have been pursued in an attempt to stem the tide of infections through timely diagnosis. In particular, computer audition has been suggested as a non-invasive, cost-efficient, and eco-friendly alternative for detecting COVID-19 infections through vocal sounds. However, like all AI methods, also computer audition is heavily dependent on the quantity and quality of available data, and large-scale COVID-19 sound datasets are difficult to acquire -- amongst other reasons -- due to the sensitive nature of such data. To that end, we introduce the COVYT dataset -- a novel COVID-19 dataset collected from public sources containing more than 8 hours of speech from 65 speakers. As compared to other existing COVID-19 sound datasets, the unique feature of the COVYT dataset is that it comprises both COVID-19 positive and negative samples from all 65 speakers. We analyse the acoustic manifestation of COVID-19 on the basis of these perfectly speaker characteristic balanced `in-the-wild' data using interpretable audio descriptors, and investigate several classification scenarios that shed light into proper partitioning strategies for a fair speech-based COVID-19 detection.

This paper presents a new approach for predicting team performance from the behavioral traces of a set of agents. This spatiotemporal forecasting problem is very relevant to sports analytics challenges such as coaching and opponent modeling. We demonstrate that our proposed model, Spatial Temporal Graph Convolutional Networks (ST-GCN), outperforms other classification techniques at predicting game score from a short segment of player movement and game features. Our proposed architecture uses a graph convolutional network to capture the spatial relationships between team members and Gated Recurrent Units to analyze dynamic motion information. An ablative evaluation was performed to demonstrate the contributions of different aspects of our architecture.

In this paper, we propose an end-to-end SpA-Former to recover a shadow-free image from a single shaded image. Unlike traditional methods that require two steps for shadow detection and then shadow removal, the SpA-Former unifies these steps into one, which is a one-stage network capable of directly learning the mapping function between shadows and no shadows, it does not require a separate shadow detection. Thus, SpA-former is adaptable to real image de-shadowing for shadows projected on different semantic regions. SpA-Former consists of transformer layer and a series of joint Fourier transform residual blocks and two-wheel joint spatial attention. The network in this paper is able to handle the task while achieving a very fast processing efficiency. Our code is relased on https://github.com/ zhangbaijin/Spatial-Transformer-shadow-removal

Algorithmic recourse aims to recommend an informative feedback to overturn an unfavorable machine learning decision. We introduce in this paper the Bayesian recourse, a model-agnostic recourse that minimizes the posterior probability odds ratio. Further, we present its min-max robust counterpart with the goal of hedging against future changes in the machine learning model parameters. The robust counterpart explicitly takes into account possible perturbations of the data in a Gaussian mixture ambiguity set prescribed using the optimal transport (Wasserstein) distance. We show that the resulting worst-case objective function can be decomposed into solving a series of two-dimensional optimization subproblems, and the min-max recourse finding problem is thus amenable to a gradient descent algorithm. Contrary to existing methods for generating robust recourses, the robust Bayesian recourse does not require a linear approximation step. The numerical experiment demonstrates the effectiveness of our proposed robust Bayesian recourse facing model shifts. Our code is available at https://github.com/VinAIResearch/robust-bayesian-recourse.

Recent progress in center-based clustering algorithms combats poor local minima by implicit annealing, using a family of generalized means. These methods are variations of Lloyd's celebrated $k$-means algorithm, and are most appropriate for spherical clusters such as those arising from Gaussian data. In this paper, we bridge these algorithmic advances to classical work on hard clustering under Bregman divergences, which enjoy a bijection to exponential family distributions and are thus well-suited for clustering objects arising from a breadth of data generating mechanisms. The elegant properties of Bregman divergences allow us to maintain closed form updates in a simple and transparent algorithm, and moreover lead to new theoretical arguments for establishing finite sample bounds that relax the bounded support assumption made in the existing state of the art. Additionally, we consider thorough empirical analyses on simulated experiments and a case study on rainfall data, finding that the proposed method outperforms existing peer methods in a variety of non-Gaussian data settings.

Unveiling feeder topologies from data is of paramount importance to advance situational awareness and proper utilization of smart resources in power distribution grids. This tutorial summarizes, contrasts, and establishes useful links between recent works on topology identification and detection schemes that have been proposed for power distribution grids.% under different regimes of measurement type, observability, and sampling. The primary focus is to highlight methods that overcome the limited availability of measurement devices in distribution grids, while enhancing topology estimates using conservation laws of power-flow physics and structural properties of feeders. Grid data from phasor measurement units or smart meters can be collected either passively in the traditional way, or actively, upon actuating grid resources and measuring the feeder's voltage response. Analytical claims on feeder identifiability and detectability are reviewed under disparate meter placement scenarios. Such topology learning claims can be attained exactly or approximately so via algorithmic solutions with various levels of computational complexity, ranging from least-squares fits to convex optimization problems, and from polynomial-time searches over graphs to mixed-integer programs. This tutorial aspires to provide researchers and engineers with knowledge of the current state-of-the-art in tractable distribution grid learning and insights into future directions of work.

Assessment of model fitness is an important step in many problems. Models are typically fitted to training data by minimizing a loss function, such as the squared-error or negative log-likelihood, and it is natural to desire low losses on future data. This letter considers the use of a test data set to characterize the out-of-sample losses of a model. We propose a simple model diagnostic tool that provides finite-sample guarantees under weak assumptions. The tool is computationally efficient and can be interpreted as an empirical quantile. Several numerical experiments are presented to show how the proposed method quantifies the impact of distribution shifts, aids the analysis of regression, and enables model selection as well as hyper-parameter tuning.

Machine learning (ML) has entered the mobile era where an enormous number of ML models are deployed on edge devices. However, running common ML models on edge devices continuously may generate excessive heat from the computation, forcing the device to "slow down" to prevent overheating, a phenomenon called thermal throttling. This paper studies the impact of thermal throttling on mobile phones: when it occurs, the CPU clock frequency is reduced, and the model inference latency may increase dramatically. This unpleasant inconsistent behavior has a substantial negative effect on user experience, but it has been overlooked for a long time. To counter thermal throttling, we propose to utilize dynamic networks with shared weights and dynamically shift between large and small ML models seamlessly according to their thermal profile, i.e., shifting to a small model when the system is about to throttle. With the proposed dynamic shifting, the application runs consistently without experiencing CPU clock frequency degradation and latency increase. In addition, we also study the resulting accuracy when dynamic shifting is deployed and show that our approach provides a reasonable trade-off between model latency and model accuracy.  ( 2 min )

Cancer is a complex disease with significant social and economic impact. Advancements in high-throughput molecular assays and the reduced cost for performing high-quality multi-omics measurements have fuelled insights through machine learning . Previous studies have shown promise on using multiple omic layers to predict survival and stratify cancer patients. In this paper, we developed a Supervised Autoencoder (SAE) model for survival-based multi-omic integration which improves upon previous work, and report a Concrete Supervised Autoencoder model (CSAE), which uses feature selection to jointly reconstruct the input features as well as predict survival. Our experiments show that our models outperform or are on par with some of the most commonly used baselines, while either providing a better survival separation (SAE) or being more interpretable (CSAE). We also perform a feature selection stability analysis on our models and notice that there is a power-law relationship with features which are commonly associated with survival. The code for this project is available at: https://github.com/phcavelar/coxae

Deep matrix factorizations (deep MFs) are recent unsupervised data mining techniques inspired by constrained low-rank approximations. They aim to extract complex hierarchies of features within high-dimensional datasets. Most of the loss functions proposed in the literature to evaluate the quality of deep MF models and the underlying optimization frameworks are not consistent because different losses are used at different layers. In this paper, we introduce two meaningful loss functions for deep MF and present a generic framework to solve the corresponding optimization problems. We illustrate the effectiveness of this approach through the integration of various constraints and regularizations, such as sparsity, nonnegativity and minimum-volume. The models are successfully applied on both synthetic and real data, namely for hyperspectral unmixing and extraction of facial features.

We present the Pathways Autoregressive Text-to-Image (Parti) model, which generates high-fidelity photorealistic images and supports content-rich synthesis involving complex compositions and world knowledge. Parti treats text-to-image generation as a sequence-to-sequence modeling problem, akin to machine translation, with sequences of image tokens as the target outputs rather than text tokens in another language. This strategy can naturally tap into the rich body of prior work on large language models, which have seen continued advances in capabilities and performance through scaling data and model sizes. Our approach is simple: First, Parti uses a Transformer-based image tokenizer, ViT-VQGAN, to encode images as sequences of discrete tokens. Second, we achieve consistent quality improvements by scaling the encoder-decoder Transformer model up to 20B parameters, with a new state-of-the-art zero-shot FID score of 7.23 and finetuned FID score of 3.22 on MS-COCO. Our detailed analysis on Localized Narratives as well as PartiPrompts (P2), a new holistic benchmark of over 1600 English prompts, demonstrate the effectiveness of Parti across a wide variety of categories and difficulty aspects. We also explore and highlight limitations of our models in order to define and exemplify key areas of focus for further improvements. See https://parti.research.google/ for high-resolution images.  ( 2 min )

In this paper, we introduce Jointist, an instrument-aware multi-instrument framework that is capable of transcribing, recognizing, and separating multiple musical instruments from an audio clip. Jointist consists of the instrument recognition module that conditions the other modules: the transcription module that outputs instrument-specific piano rolls, and the source separation module that utilizes instrument information and transcription results. The instrument conditioning is designed for an explicit multi-instrument functionality while the connection between the transcription and source separation modules is for better transcription performance. Our challenging problem formulation makes the model highly useful in the real world given that modern popular music typically consists of multiple instruments. However, its novelty necessitates a new perspective on how to evaluate such a model. During the experiment, we assess the model from various aspects, providing a new evaluation perspective for multi-instrument transcription. We also argue that transcription models can be utilized as a preprocessing module for other music analysis tasks. In the experiment on several downstream tasks, the symbolic representation provided by our transcription model turned out to be helpful to spectrograms in solving downbeat detection, chord recognition, and key estimation.  ( 2 min )

Recently, one critical issue looms large in the field of recommender systems -- there are no effective benchmarks for rigorous evaluation -- which consequently leads to unreproducible evaluation and unfair comparison. We, therefore, conduct studies from the perspectives of practical theory and experiments, aiming at benchmarking recommendation for rigorous evaluation. Regarding the theoretical study, a series of hyper-factors affecting recommendation performance throughout the whole evaluation chain are systematically summarized and analyzed via an exhaustive review on 141 papers published at eight top-tier conferences within 2017-2020. We then classify them into model-independent and model-dependent hyper-factors, and different modes of rigorous evaluation are defined and discussed in-depth accordingly. For the experimental study, we release DaisyRec 2.0 library by integrating these hyper-factors to perform rigorous evaluation, whereby a holistic empirical study is conducted to unveil the impacts of different hyper-factors on recommendation performance. Supported by the theoretical and experimental studies, we finally create benchmarks for rigorous evaluation by proposing standardized procedures and providing performance of ten state-of-the-arts across six evaluation metrics on six datasets as a reference for later study. Overall, our work sheds light on the issues in recommendation evaluation, provides potential solutions for rigorous evaluation, and lays foundation for further investigation.  ( 2 min )

Cancer subtyping is crucial for understanding the nature of tumors and providing suitable therapy. However, existing labelling methods are medically controversial, and have driven the process of subtyping away from teaching signals. Moreover, cancer genetic expression profiles are high-dimensional, scarce, and have complicated dependence, thereby posing a serious challenge to existing subtyping models for outputting sensible clustering. In this study, we propose a novel clustering method for exploiting genetic expression profiles and distinguishing subtypes in an unsupervised manner. The proposed method adaptively learns categorical correspondence from latent representations of expression profiles to the subtypes output by the model. By maximizing the problem -- agnostic mutual information between input expression profiles and output subtypes, our method can automatically decide a suitable number of subtypes. Through experiments, we demonstrate that our proposed method can refine existing controversial labels, and, by further medical analysis, this refinement is proven to have a high correlation with cancer survival rates.  ( 2 min )

Uniformity testing is one of the most well-studied problems in property testing, with many known test statistics, including ones based on counting collisions, singletons, and the empirical TV distance. It is known that the optimal sample complexity to distinguish the uniform distribution on $m$ elements from any $\epsilon$-far distribution with $1-\delta$ probability is $n = \Theta\left(\frac{\sqrt{m \log (1/\delta)}}{\epsilon^2} + \frac{\log (1/\delta)}{\epsilon^2}\right)$, which is achieved by the empirical TV tester. Yet in simulation, these theoretical analyses are misleading: in many cases, they do not correctly rank order the performance of existing testers, even in an asymptotic regime of all parameters tending to $0$ or $\infty$. We explain this discrepancy by studying the \emph{constant factors} required by the algorithms. We show that the collisions tester achieves a sharp maximal constant in the number of standard deviations of separation between uniform and non-uniform inputs. We then introduce a new tester based on the Huber loss, and show that it not only matches this separation, but also has tails corresponding to a Gaussian with this separation. This leads to a sample complexity of $(1 + o(1))\frac{\sqrt{m \log (1/\delta)}}{\epsilon^2}$ in the regime where this term is dominant, unlike all other existing testers.  ( 2 min )

The problem of out-of-distribution detection for graph classification is far from being solved. The existing models tend to be overconfident about OOD examples or completely ignore the detection task. In this work, we consider this problem from the uncertainty estimation perspective and perform the comparison of several recently proposed methods. In our experiment, we find that there is no universal approach for OOD detection, and it is important to consider both graph representations and predictive categorical distribution.

Stylistic analysis of text is a key task in research areas ranging from authorship attribution to forensic analysis and personality profiling. The existing approaches for stylistic analysis are plagued by issues like topic influence, lack of discriminability for large number of authors and the requirement for large amounts of diverse data. In this paper, the source of these issues are identified along with the necessity for a cognitive perspective on authorial style in addressing them. A novel feature representation, called Trajectory-based Style Estimation (TraSE), is introduced to support this purpose. Authorship attribution experiments with over 27,000 authors and 1.4 million samples in a cross-domain scenario resulted in 90% attribution accuracy suggesting that the feature representation is immune to such negative influences and an excellent candidate for stylistic analysis. Finally, a qualitative analysis is performed on TraSE using physical human characteristics, like age, to validate its claim on capturing cognitive traits.

Imitation Learning uses the demonstrations of an expert to uncover the optimal policy and it is suitable for real-world robotics tasks as well. In this case, however, the training of the agent is carried out in a simulation environment due to safety, economic and time constraints. Later, the agent is applied in the real-life domain using sim-to-real methods. In this paper, we apply Imitation Learning methods that solve a robotics task in a simulated environment and use transfer learning to apply these solutions in the real-world environment. Our task is set in the Duckietown environment, where the robotic agent has to follow the right lane based on the input images of a single forward-facing camera. We present three Imitation Learning and two sim-to-real methods capable of achieving this task. A detailed comparison is provided on these techniques to highlight their advantages and disadvantages.  ( 2 min )

Federated Learning (FL) allows a number of agents to participate in training a global machine learning model without disclosing locally stored data. Compared to traditional distributed learning, the heterogeneity (non-IID) of the agents slows down the convergence in FL. Furthermore, many datasets, being too noisy or too small, are easily overfitted by complex models, such as deep neural networks. Here, we consider the problem of using FL regression on noisy, hierarchical and tabular datasets in which user distributions are significantly different. Inspired by Latent Class Regression (LCR), we propose a novel probabilistic model, Hierarchical Latent Class Regression (HLCR), and its extension to Federated Learning, FEDHLCR. FEDHLCR consists of a mixture of linear regression models, allowing better accuracy than simple linear regression, while at the same time maintaining its analytical properties and avoiding overfitting. Our inference algorithm, being derived from Bayesian theory, provides strong convergence guarantees and good robustness to overfitting. Experimental results show that FEDHLCR offers fast convergence even in non-IID datasets.  ( 2 min )

We study reward-free reinforcement learning (RL) under general non-linear function approximation, and establish sample efficiency and hardness results under various standard structural assumptions. On the positive side, we propose the RFOLIVE (Reward-Free OLIVE) algorithm for sample-efficient reward-free exploration under minimal structural assumptions, which covers the previously studied settings of linear MDPs (Jin et al., 2020b), linear completeness (Zanette et al., 2020b) and low-rank MDPs with unknown representation (Modi et al., 2021). Our analyses indicate that the explorability or reachability assumptions, previously made for the latter two settings, are not necessary statistically for reward-free exploration. On the negative side, we provide a statistical hardness result for both reward-free and reward-aware exploration under linear completeness assumptions when the underlying features are unknown, showing an exponential separation between low-rank and linear completeness settings.  ( 2 min )

Modeling the recovery of interdependent critical infrastructure is a key component of quantifying and optimizing societal resilience to disruptive events. However, simulating the recovery of large-scale interdependent systems under random disruptive events is computationally expensive. Therefore, we propose the application of Deep Operator Networks (DeepONets) in this paper to accelerate the recovery modeling of interdependent systems. DeepONets are ML architectures which identify mathematical operators from data. The form of governing equations DeepONets identify and the governing equation of interdependent systems recovery model are similar. Therefore, we hypothesize that DeepONets can efficiently model the interdependent systems recovery with little training data. We applied DeepONets to a simple case of four interdependent systems with sixteen states. DeepONets, overall, performed satisfactorily in predicting the recovery of these interdependent systems for out of training sample data when compared to reference results.  ( 2 min )

The lack of freely available (real-life or synthetic) high or ultra-high dimensional, multi-class datasets may hamper the rapidly growing research on feature screening, especially in the field of biometrics, where the usage of such datasets is common. This paper reports a Python package called BiometricBlender, which is an ultra-high dimensional, multi-class synthetic data generator to benchmark a wide range of feature screening methods. During the data generation process, the overall usefulness and the intercorrelations of blended features can be controlled by the user, thus the synthetic feature space is able to imitate the key properties of a real biometric dataset.  ( 2 min )

Genetic algorithms have unique properties which are useful when applied to black box optimization. Using selection, crossover, and mutation operators, candidate solutions may be obtained without the need to calculate a gradient. In this work, we study results obtained from using quantum-enhanced operators within the selection mechanism of a genetic algorithm. Our approach frames the selection process as a minimization of a binary quadratic model with which we encode fitness and distance between members of a population, and we leverage a quantum annealing system to sample low energy solutions for the selection mechanism. We benchmark these quantum-enhanced algorithms against classical algorithms over various black-box objective functions, including the OneMax function, and functions from the IOHProfiler library for black-box optimization. We observe a performance gain in average number of generations to convergence for the quantum-enhanced elitist selection operator in comparison to classical on the OneMax function. We also find that the quantum-enhanced selection operator with non-elitist selection outperform benchmarks on functions with fitness perturbation from the IOHProfiler library. Additionally, we find that in the case of elitist selection, the quantum-enhanced operators outperform classical benchmarks on functions with varying degrees of dummy variables and neutrality.  ( 2 min )

A novel framework for solving the optimal execution and placement problems using reinforcement learning (RL) with imitation was proposed. The RL agents trained from the proposed framework consistently outperformed the industry benchmark time-weighted average price (TWAP) strategy in execution cost and showed great generalization across out-of-sample trading dates and tickers. The impressive performance was achieved from three aspects. First, our RL network architecture called Dual-window Denoise PPO enabled efficient learning in a noisy market environment. Second, a reward scheme with imitation learning was designed, and a comprehensive set of market features was studied. Third, our flexible action formulation allowed the RL agent to tackle optimal execution and placement collectively resulting in better performance than solving individual problems separately. The RL agent's performance was evaluated in our multi-agent realistic historical limit order book simulator in which price impact was accurately assessed. In addition, ablation studies were also performed, confirming the superiority of our framework.  ( 2 min )

Most prior convergence results on differentially private stochastic gradient descent (DP-SGD) are derived under the simplistic assumption of uniform Lipschitzness, i.e., the per-sample gradients are uniformly bounded. This assumption is unrealistic in many problems, e.g., linear regression with Gaussian data. We relax uniform Lipschitzness by instead assuming that the per-sample gradients have \textit{sample-dependent} upper bounds, i.e., per-sample Lipschitz constants, which themselves may be unbounded. We derive new convergence results for DP-SGD on both convex and nonconvex functions when the per-sample Lipschitz constants have bounded moments. Furthermore, we provide principled guidance on choosing the clip norm in DP-SGD for convex settings satisfying our relaxed version of Lipschitzness, without making distributional assumptions on the Lipschitz constants. We verify the effectiveness of our recommendation via experiments on benchmarking datasets.  ( 2 min )

Many problems in science and engineering involve optimizing an expensive black-box function over a high-dimensional space. For such black-box optimization (BBO) problems, we typically assume a small budget for online function evaluations, but also often have access to a fixed, offline dataset for pretraining. Prior approaches seek to utilize the offline data to approximate the function or its inverse but are not sufficiently accurate far from the data distribution. We propose Black-box Optimization Transformer (BOOMER), a generative framework for pretraining black-box optimizers using offline datasets. In BOOMER, we train an autoregressive model to imitate trajectory runs of implicit black-box function optimizers. Since these trajectories are unavailable by default, we develop a simple randomized heuristic to synthesize trajectories by sorting random points from offline data. We show theoretically that this heuristic induces trajectories that mimic transitions from diverse low-fidelity (exploration) to high-fidelity (exploitation) samples. Further, we introduce mechanisms to control the rate at which a trajectory transitions from exploration to exploitation, and use it to generalize outside the offline data at test-time. Empirically, we instantiate BOOMER using a casually masked Transformer and evaluate it on Design-Bench, where we rank the best on average, outperforming state-of-the-art baselines.  ( 2 min )

Distributed, small-scale solar photovoltaic (PV) systems are being installed at a rapidly increasing rate. This can cause major impacts on distribution networks and energy markets. As a result, there is a significant need for improved forecasting of the power generation of these systems at different time resolutions and horizons. However, the performance of forecasting models depends on the resolution and horizon. Forecast combinations (ensembles), that combine the forecasts of multiple models into a single forecast may be robust in such cases. Therefore, in this paper, we provide comparisons and insights into the performance of five state-of-the-art forecast models and existing forecast combinations at multiple resolutions and horizons. We propose a forecast combination approach based on particle swarm optimization (PSO) that will enable a forecaster to produce accurate forecasts for the task at hand by weighting the forecasts produced by individual models. Furthermore, we compare the performance of the proposed combination approach with existing forecast combination approaches. A comprehensive evaluation is conducted using a real-world residential PV power data set measured at 25 houses located in three locations in the United States. The results across four different resolutions and four different horizons show that the PSO-based forecast combination approach outperforms the use of any individual forecast model and other forecast combination counterparts, with an average Mean Absolute Scaled Error reduction by 3.81% compared to the best performing individual model. Our approach enables a solar forecaster to produce accurate forecasts for their application regardless of the forecast resolution or horizon.  ( 3 min )

In meta reinforcement learning (meta RL), an agent learns from a set of training tasks how to quickly solve a new task, drawn from the same task distribution. The optimal meta RL policy, a.k.a. the Bayes-optimal behavior, is well defined, and guarantees optimal reward in expectation, taken with respect to the task distribution. The question we explore in this work is how many training tasks are required to guarantee approximately optimal behavior with high probability. Recent work provided the first such PAC analysis for a model-free setting, where a history-dependent policy was learned from the training tasks. In this work, we propose a different approach: directly learn the task distribution, using density estimation techniques, and then train a policy on the learned task distribution. We show that our approach leads to bounds that depend on the dimension of the task distribution. In particular, in settings where the task distribution lies in a low-dimensional manifold, we extend our analysis to use dimensionality reduction techniques and account for such structure, obtaining significantly better bounds than previous work, which strictly depend on the number of states and actions. The key of our approach is the regularization implied by the kernel density estimation method. We further demonstrate that this regularization is useful in practice, when `plugged in' the state-of-the-art VariBAD meta RL algorithm.  ( 2 min )

Can we combine heterogenous graph structure with text to learn high-quality semantic and behavioural representations? Graph neural networks (GNN)s encode numerical node attributes and graph structure to achieve impressive performance in a variety of supervised learning tasks. Current GNN approaches are challenged by textual features, which typically need to be encoded to a numerical vector before provided to the GNN that may incur some information loss. In this paper, we put forth an efficient and effective framework termed language model GNN (LM-GNN) to jointly train large-scale language models and graph neural networks. The effectiveness in our framework is achieved by applying stage-wise fine-tuning of the BERT model first with heterogenous graph information and then with a GNN model. Several system and design optimizations are proposed to enable scalable and efficient training. LM-GNN accommodates node and edge classification as well as link prediction tasks. We evaluate the LM-GNN framework in different datasets performance and showcase the effectiveness of the proposed approach. LM-GNN provides competitive results in an Amazon query-purchase-product application.  ( 2 min )

We show that the input correlation matrix of typical classification datasets has an eigenspectrum where, after a sharp initial drop, a large number of small eigenvalues are distributed uniformly over an exponentially large range. This structure is mirrored in a network trained on this data: we show that the Hessian and the Fisher Information Matrix (FIM) have eigenvalues that are spread uniformly over exponentially large ranges. We call such eigenspectra "sloppy" because sets of weights corresponding to small eigenvalues can be changed by large magnitudes without affecting the loss. Networks trained on atypical datasets with non-sloppy inputs do not share these traits and deep networks trained on such datasets generalize poorly. Inspired by this, we study the hypothesis that sloppiness of inputs aids generalization in deep networks. We show that if the Hessian is sloppy, we can compute non-vacuous PAC-Bayes generalization bounds analytically. By exploiting our empirical observation that training predominantly takes place in the non-sloppy subspace of the FIM, we develop data-distribution dependent PAC-Bayes priors that lead to accurate generalization bounds using numerical optimization.  ( 2 min )

The ability to continuously process and retain new information like we do naturally as humans is a feat that is highly sought after when training neural networks. Unfortunately, the traditional optimization algorithms often require large amounts of data available during training time and updates wrt. new data are difficult after the training process has been completed. In fact, when new data or tasks arise, previous progress may be lost as neural networks are prone to catastrophic forgetting. Catastrophic forgetting describes the phenomenon when a neural network completely forgets previous knowledge when given new information. We propose a novel training algorithm called training by explaining in which we leverage Layer-wise Relevance Propagation in order to retain the information a neural network has already learned in previous tasks when training on new data. The method is evaluated on a range of benchmark datasets as well as more complex data. Our method not only successfully retains the knowledge of old tasks within the neural networks but does so more resource-efficiently than other state-of-the-art solutions.  ( 3 min )

Neural operators have gained significant attention recently due to their ability to approximate high-dimensional parametric maps between function spaces. At present, only parametric function approximation has been addressed in the neural operator literature. In this work we investigate incorporating parametric derivative information in neural operator training; this information can improve function approximations, additionally it can be used to improve the approximation of the derivative with respect to the parameter, which is often the key to scalable solution of high-dimensional outer-loop problems (e.g. Bayesian inverse problems). Parametric Jacobian information is formally intractable to incorporate due to its high-dimensionality, to address this concern we propose strategies based on reduced SVD, randomized sketching and the use of reduced basis surrogates. All of these strategies only require only $O(r)$ Jacobian actions to construct sample Jacobian data, and allow us to reduce the linear algebra and memory costs associated with the Jacobian training from the product of the input and output dimensions down to $O(r^2)$, where $r$ is the dimensionality associated with the dimension reduction technique. Numerical results for parametric PDE problems demonstrate that the addition of derivative information to the training problem can significantly improve the parametric map approximation, particularly given few data. When Jacobian actions are inexpensive compared to the parametric map, this information can be economically substituted for parametric map data. Additionally we show that Jacobian error approximations improve significantly with the introduction of Jacobian training data. This result opens the door to the use of derivative informed neural operators (DINOs) in outer-loop algorithms where they can amortize the additional training data cost via repeated evaluations.

In this paper, we consider cooperative multi-agent reinforcement learning (MARL) with sparse reward. To tackle this problem, we propose a novel method named MASER: MARL with subgoals generated from experience replay buffer. Under the widely-used assumption of centralized training with decentralized execution and consistent Q-value decomposition for MARL, MASER automatically generates proper subgoals for multiple agents from the experience replay buffer by considering both individual Q-value and total Q-value. Then, MASER designs individual intrinsic reward for each agent based on actionable representation relevant to Q-learning so that the agents reach their subgoals while maximizing the joint action value. Numerical results show that MASER significantly outperforms StarCraft II micromanagement benchmark compared to other state-of-the-art MARL algorithms.  ( 2 min )

The goal of transfer learning (TL) is providing a framework for exploiting acquired knowledge from source to target data. Transfer learning approaches compared to traditional machine learning approaches are capable of modeling better data patterns from the current domain. However, vanilla TL needs performance improvements by using computational intelligence-based TL. This paper studies computational intelligence-based transfer learning techniques and categorizes them into neural network-based, evolutionary algorithm-based, swarm intelligence-based and fuzzy logic-based transfer learning.  ( 2 min )

The Maximal Information Coefficient (MIC) is a powerful statistic to identify dependencies between variables. However, it may be applied to sensitive data, and publishing it could leak private information. As a solution, we present algorithms to approximate MIC in a way that provides differential privacy. We show that the natural application of the classic Laplace mechanism yields insufficient accuracy. We therefore introduce the MICr statistic, which is a new MIC approximation that is more compatible with differential privacy. We prove MICr is a consistent estimator for MIC, and we provide two differentially private versions of it. We perform experiments on a variety of real and synthetic datasets. The results show that the private MICr statistics significantly outperform direct application of the Laplace mechanism. Moreover, experiments on real-world datasets show accuracy that is usable when the sample size is at least moderately large.  ( 2 min )

Foundation models are subject to an ongoing heated debate, leaving open the question of progress towards AGI and dividing the community into two camps: the ones who see the arguably impressive results as evidence to the scaling hypothesis, and the others who are worried about the lack of interpretability and reasoning capabilities. By investigating to which extent causal representations might be captured by these large scale language models, we make a humble efforts towards resolving the ongoing philosophical conflicts.  ( 2 min )

Recently, deep learning-based image compression has made signifcant progresses, and has achieved better ratedistortion (R-D) performance than the latest traditional method, H.266/VVC, in both subjective metric and the more challenging objective metric. However, a major problem is that many leading learned schemes cannot maintain a good trade-off between performance and complexity. In this paper, we propose an effcient and effective image coding framework, which achieves similar R-D performance with lower complexity than the state of the art. First, we develop an improved multi-scale residual block (MSRB) that can expand the receptive feld and is easier to obtain global information. It can further capture and reduce the spatial correlation of the latent representations. Second, a more advanced importance map network is introduced to adaptively allocate bits to different regions of the image. Third, we apply a 2D post-quantization flter (PQF) to reduce the quantization error, motivated by the Sample Adaptive Offset (SAO) flter in video coding. Moreover, We fnd that the complexity of encoder and decoder have different effects on image compression performance. Based on this observation, we design an asymmetric paradigm, in which the encoder employs three stages of MSRBs to improve the learning capacity, whereas the decoder only needs one stage of MSRB to yield satisfactory reconstruction, thereby reducing the decoding complexity without sacrifcing performance. Experimental results show that compared to the state-of-the-art method, the encoding and decoding time of the proposed method are about 17 times faster, and the R-D performance is only reduced by less than 1% on both Kodak and Tecnick datasets, which is still better than H.266/VVC(4:4:4) and other recent learning-based methods. Our source code is publicly available at https://github.com/fengyurenpingsheng.  ( 3 min )

The mechanisms by which certain training interventions, such as increasing learning rates and applying batch normalization, improve the generalization of deep networks remains a mystery. Prior works have speculated that "flatter" solutions generalize better than "sharper" solutions to unseen data, motivating several metrics for measuring flatness (particularly $\lambda_{max}$, the largest eigenvalue of the Hessian of the loss); and algorithms, such as Sharpness-Aware Minimization (SAM) [1], that directly optimize for flatness. Other works question the link between $\lambda_{max}$ and generalization. In this paper, we present findings that call $\lambda_{max}$'s influence on generalization further into question. We show that: (1) while larger learning rates reduce $\lambda_{max}$ for all batch sizes, generalization benefits sometimes vanish at larger batch sizes; (2) by scaling batch size and learning rate simultaneously, we can change $\lambda_{max}$ without affecting generalization; (3) while SAM produces smaller $\lambda_{max}$ for all batch sizes, generalization benefits (also) vanish with larger batch sizes; (4) for dropout, excessively high dropout probabilities can degrade generalization, even as they promote smaller $\lambda_{max}$; and (5) while batch-normalization does not consistently produce smaller $\lambda_{max}$, it nevertheless confers generalization benefits. While our experiments affirm the generalization benefits of large learning rates and SAM for minibatch SGD, the GD-SGD discrepancy demonstrates limits to $\lambda_{max}$'s ability to explain generalization in neural networks.  ( 2 min )

This study is devoted to solving the problem to determine the professional adaptive capabilities of construction management staff using artificial intelligence systems.It is proposed Fully Connected Feed-Forward Neural Network architecture and performed empirical modeling to create a Data Set. Model of artificial intelligence system allows evaluating the processes in an Fully Connected Feed-Forward Neural Network during the execution of multi-value classification of professional areas. A method has been developed for the training process of a machine learning model, which reflects the internal connections between the components of an artificial intelligence system that allow it to learn from training data. To train the neural network, a data set of 35 input parameters and 29 output parameters was used; the amount of data in the set is 936 data lines. Neural network training occurred in the proportion of 10% and 90%, respectively. Results of this study research can be used to further improve the knowledge and skills necessary for successful professional realization.  ( 2 min )

We present a method for generating arrangements of indoor furniture from human-designed furniture layout data. Our method creates arrangements that target specified diversity, such as the total price of all furniture in the room and the number of pieces placed. To generate realistic furniture arrangement, we train a generative adversarial network (GAN) on human-designed layouts. To target specific diversity in the arrangements, we optimize the latent space of the GAN via a quality diversity algorithm to generate a diverse arrangement collection. Experiments show our approach discovers a set of arrangements that are similar to human-designed layouts but varies in price and number of furniture pieces.  ( 2 min )

Infectious diseases remain among the top contributors to human illness and death worldwide, among which many diseases produce epidemic waves of infection. The unavailability of specific drugs and ready-to-use vaccines to prevent most of these epidemics makes the situation worse. These force public health officials, health care providers, and policymakers to rely on early warning systems generated by reliable and accurate forecasts of epidemics. Accurate forecasts of epidemics can assist stakeholders in tailoring countermeasures, such as vaccination campaigns, staff scheduling, and resource allocation, to the situation at hand, which could translate to reductions in the impact of a disease. Unfortunately, most of these past epidemics (e.g., dengue, malaria, hepatitis, influenza, and most recent, Covid-19) exhibit nonlinear and non-stationary characteristics due to their spreading fluctuations based on seasonal-dependent variability and the nature of these epidemics. We analyze a wide variety of epidemic time series datasets using a maximal overlap discrete wavelet transform (MODWT) based autoregressive neural network and call it EWNet. MODWT techniques effectively characterize non-stationary behavior and seasonal dependencies in the epidemic time series and improve the forecasting scheme of the autoregressive neural network in the proposed ensemble wavelet network framework. From a nonlinear time series viewpoint, we explore the asymptotic stationarity of the proposed EWNet model to show the asymptotic behavior of the associated Markov Chain. We also theoretically investigate the effect of learning stability and the choice of hidden neurons in the proposed EWNet model. From a practical perspective, we compare our proposed EWNet framework with several statistical, machine learning, and deep learning models that have been previously used for epidemic forecasting.  ( 3 min )

Objective: Electroencephalography (EEG) and electromyography (EMG) are two non-invasive bio-signals, which are widely used in human machine interface (HMI) technologies (EEG-HMI and EMG-HMI paradigm) for the rehabilitation of physically disabled people. Successful decoding of EEG and EMG signals into respective control command is a pivotal step in the rehabilitation process. Recently, several Convolutional neural networks (CNNs) based architectures are proposed that directly map the raw time-series signal into decision space and the process of meaningful features extraction and classification are performed simultaneously. However, these networks are tailored to the learn the expected characteristics of the given bio-signal and are limited to single paradigm. In this work, we addressed the question that can we build a single architecture which is able to learn distinct features from different HMI paradigms and still successfully classify them. Approach: In this work, we introduce a single hybrid model called ConTraNet, which is based on CNN and Transformer architectures that is equally useful for EEG-HMI and EMG-HMI paradigms. ConTraNet uses CNN block to introduce inductive bias in the model and learn local dependencies, whereas the Transformer block uses the self-attention mechanism to learn the long-range dependencies in the signal, which are crucial for the classification of EEG and EMG signals. Main results: We evaluated and compared the ConTraNet with state-of-the-art methods on three publicly available datasets which belong to EEG-HMI and EMG-HMI paradigms. ConTraNet outperformed its counterparts in all the different category tasks (2-class, 3-class, 4-class, and 10-class decoding tasks). Significance: The results suggest that ConTraNet is robust to learn distinct features from different HMI paradigms and generalizes well as compared to the current state of the art algorithms.  ( 3 min )

Few-shot class-incremental learning (FSCIL) has addressed challenging real-world scenarios where unseen novel classes continually arrive with few samples. In these scenarios, it is required to develop a model that recognizes the novel classes without forgetting prior knowledge. In other words, FSCIL aims to maintain the base performance and improve the novel performance simultaneously. However, there is little study to investigate the two performances separately. In this paper, we first decompose the entire model into four types of parameters and demonstrate that the tendency of the two performances varies greatly with the updated parameters when the novel classes appear. Based on the analysis, we propose a simple method for FSCIL, coined as NoNPC, which uses normalized prototype classifiers without further training for incremental novel classes. It is shown that our straightforward method has comparable performance with the sophisticated state-of-the-art algorithms.  ( 2 min )

In recent years, discussions about fairness in machine learning, AI ethics and algorithm audits have increased. Many entities have developed framework guidance to establish a baseline rubric for fairness and accountability. However, in spite of increased discussions and multiple frameworks, algorithm and data auditing still remain difficult to execute in practice. Many open-source auditing tools are available, but users aren't always aware of the tools, what they are useful for, or how to access them. Model auditing and evaluation are not frequently emphasized skills in machine learning. There are also legal reasons for the proactive adoption of these tools that extend beyond the desire for greater fairness in machine learning. There are positive social issues of public perception and goodwill that matter in our highly connected global society. Greater awareness of these tools and the reasons for actively utilizing them may be helpful to the entire continuum of programmers, data scientists, engineers, researchers, users and consumers of AI and machine learning products. It is important for everyone to better understand the input and output differentials, how they are occurring, and what can be done to promote FATE (fairness, accountability, transparency, and ethics) in machine- and deep learning. The ability to freely access open-source auditing tools removes barriers to fairness assessment at the most basic levels of machine learning. This paper aims to reinforce the urgent need to actually use these tools and provides motivations for doing so. The exemplary tools highlighted herein are open-source with software or code-base repositories available that can be used immediately by anyone worldwide.  ( 3 min )

There is a growing demand for shifting the delivery of AI capability from data centers on the cloud to edge or end devices, exemplified by the fast emerging real-time AI-based apps running on smartphones, AR/VR devices, autonomous vehicles, and various IoT devices. The shift has however been seriously hampered by the large growing gap between DNN computing demands and the computing power on edge or end devices. This article presents the design of XGen, an optimizing framework for DNN designed to bridge the gap. XGen takes cross-cutting co-design as its first-order consideration. Its full-stack AI-oriented optimizations consist of a number of innovative optimizations at every layer of the DNN software stack, all designed in a cooperative manner. The unique technology makes XGen able to optimize various DNNs, including those with an extreme depth (e.g., BERT, GPT, other transformers), and generate code that runs several times faster than those from existing DNN frameworks, while delivering the same level of accuracy.  ( 2 min )

In reality, it is often more efficient to ask for help than to search the entire space to find an object with an unknown location. We present a learning framework that enables an agent to actively ask for help in such embodied visual navigation tasks, where the feedback informs the agent of where the goal is in its view. To emulate the real-world scenario that a teacher may not always be present, we propose a training curriculum where feedback is not always available. We formulate an uncertainty measure of where the goal is and use empirical results to show that through this approach, the agent learns to ask for help effectively while remaining robust when feedback is not available.  ( 2 min )

A large number of people suffer from life-threatening cardiac abnormalities, and electrocardiogram (ECG) analysis is beneficial to determining whether an individual is at risk of such abnormalities. Automatic ECG classification methods, especially the deep learning based ones, have been proposed to detect cardiac abnormalities using ECG records, showing good potential to improve clinical diagnosis and help early prevention of cardiovascular diseases. However, the predictions of the known neural networks still do not satisfactorily meet the needs of clinicians, and this phenomenon suggests that some information used in clinical diagnosis may not be well captured and utilized by these methods. In this paper, we introduce some rules into convolutional neural networks, which help present clinical knowledge to deep learning based ECG analysis, in order to improve automated ECG diagnosis performance. Specifically, we propose a Handcrafted-Rule-enhanced Neural Network (called HRNN) for ECG classification with standard 12-lead ECG input, which consists of a rule inference module and a deep learning module. Experiments on two large-scale public ECG datasets show that our new approach considerably outperforms existing state-of-the-art methods. Further, our proposed approach not only can improve the diagnosis performance, but also can assist in detecting mislabelled ECG samples. Our codes are available at https://github.com/alwaysbyx/ecg_processing.  ( 2 min )

Medical datasets are particularly subject to attribute noise, that is, missing and erroneous values. Attribute noise is known to be largely detrimental to learning performances. To maximize future learning performances it is primordial to deal with attribute noise before any inference. We propose a simple autoencoder-based preprocessing method that can correct mixed-type tabular data corrupted by attribute noise. No other method currently exists to handle attribute noise in tabular data. We experimentally demonstrate that our method outperforms both state-of-the-art imputation methods and noise correction methods on several real-world medical datasets.  ( 2 min )

Cytokine release syndrome (CRS), also known as cytokine storm, is one of the most consequential adverse effects of chimeric antigen receptor therapies that have shown promising results in cancer treatment. When emerging, CRS could be identified by the analysis of specific cytokine and chemokine profiles that tend to exhibit similarities across patients. In this paper, we exploit these similarities using machine learning algorithms and set out to pioneer a meta--review informed method for the identification of CRS based on specific cytokine peak concentrations and evidence from previous clinical studies. We argue that such methods could support clinicians in analyzing suspect cytokine profiles by matching them against CRS knowledge from past clinical studies, with the ultimate aim of swift CRS diagnosis. During evaluation with real--world CRS clinical data, we emphasize the potential of our proposed method of producing interpretable results, in addition to being effective in identifying the onset of cytokine storm.  ( 2 min )

A key to deciphering the inner workings of neural networks is understanding what a model has learned. Promising methods for discovering learned features are based on analyzing activation values, whereby current techniques focus on analyzing high activation values to reveal interesting features on a neuron level. However, analyzing high activation values limits layer-level concept discovery. We present a method that instead takes into account the entire activation distribution. By extracting similar activation profiles within the high-dimensional activation space of a neural network layer, we find groups of inputs that are treated similarly. These input groups represent neural activation patterns (NAPs) and can be used to visualize and interpret learned layer concepts. We release a framework with which NAPs can be extracted from pre-trained models and provide a visual introspection tool that can be used to analyze NAPs. We tested our method with a variety of networks and show how it complements existing methods for analyzing neural network activation values.  ( 2 min )

Route choice modeling, i.e., the process of estimating the likely path that individuals follow during their journeys, is a fundamental task in transportation planning and demand forecasting. Classical methods generally adopt the discrete choice model (DCM) framework with linear utility functions and high-level route characteristics. While several recent studies have started to explore the applicability of deep learning for travel choice modeling, they are all path-based with relatively simple model architectures and cannot take advantage of detailed link-level features. Existing link-based models, while theoretically promising, are generally not as scalable or flexible enough to account for the destination characteristics. To address these issues, this study proposes a general deep inverse reinforcement learning (IRL) framework for link-based route choice modeling, which is capable of incorporating high-dimensional features and capturing complex relationships. Specifically, we adapt an adversarial IRL model to the route choice problem for efficient estimation of destination-dependent reward and policy functions. Experiment results based on taxi GPS data from Shanghai, China validate the improved performance of the proposed model over conventional DCMs and other imitation learning baselines, even for destinations unseen in the training data. We also demonstrate the model interpretability using explainable AI techniques. The proposed methodology provides a new direction for future development of route choice models. It is general and should be adaptable to other route choice problems across different modes and networks.  ( 2 min )

Machine learning algorithms enable advanced decision making in contemporary intelligent systems. Research indicates that there is a tradeoff between their model performance and explainability. Machine learning models with higher performance are often based on more complex algorithms and therefore lack explainability and vice versa. However, there is little to no empirical evidence of this tradeoff from an end user perspective. We aim to provide empirical evidence by conducting two user experiments. Using two distinct datasets, we first measure the tradeoff for five common classes of machine learning algorithms. Second, we address the problem of end user perceptions of explainable artificial intelligence augmentations aimed at increasing the understanding of the decision logic of high-performing complex models. Our results diverge from the widespread assumption of a tradeoff curve and indicate that the tradeoff between model performance and explainability is much less gradual in the end user's perception. This is a stark contrast to assumed inherent model interpretability. Further, we found the tradeoff to be situational for example due to data complexity. Results of our second experiment show that while explainable artificial intelligence augmentations can be used to increase explainability, the type of explanation plays an essential role in end user perception.  ( 2 min )

We propose a new framework that generalizes the parameters of neural network models to $C^*$-algebra-valued ones. $C^*$-algebra is a generalization of the space of complex numbers. A typical example is the space of continuous functions on a compact space. This generalization enables us to combine multiple models continuously and use tools for functions such as regression and integration. Consequently, we can learn features of data efficiently and adapt the models to problems continuously. We apply our framework to practical problems such as density estimation and few-shot learning and show that our framework enables us to learn features of data even with a limited number of samples. Our new framework highlights the potential possibility of applying the theory of $C^*$-algebra to general neural network models.  ( 2 min )

Statistical learning with a large number of rare binary features is commonly encountered in analyzing electronic health records (EHR) data, especially in the modeling of disease onset with prior medical diagnoses and procedures. Dealing with the resulting highly sparse and large-scale binary feature matrix is notoriously challenging as conventional methods may suffer from a lack of power in testing and inconsistency in model fitting while machine learning methods may suffer from the inability of producing interpretable results or clinically-meaningful risk factors. To improve EHR-based modeling and utilize the natural hierarchical structure of disease classification, we propose a tree-guided feature selection and logic aggregation approach for large-scale regression with rare binary features, in which dimension reduction is achieved through not only a sparsity pursuit but also an aggregation promoter with the logic operator of ``or''. We convert the combinatorial problem into a convex linearly-constrained regularized estimation, which enables scalable computation with theoretical guarantees. In a suicide risk study with EHR data, our approach is able to select and aggregate prior mental health diagnoses as guided by the diagnosis hierarchy of the International Classification of Diseases. By balancing the rarity and specificity of the EHR diagnosis records, our strategy improves both prediction and model interpretation. We identify important higher-level categories and subcategories of mental health conditions and simultaneously determine the level of specificity needed for each of them in predicting suicide risk.  ( 3 min )

We study the problem of Out-of-Distribution (OOD) detection, that is, detecting whether a learning algorithm's output can be trusted at inference time. While a number of tests for OOD detection have been proposed in prior work, a formal framework for studying this problem is lacking. We propose a definition for the notion of OOD that includes both the input distribution and the learning algorithm, which provides insights for the construction of powerful tests for OOD detection. We propose a multiple hypothesis testing inspired procedure to systematically combine any number of different statistics from the learning algorithm using conformal p-values. We further provide strong guarantees on the probability of incorrectly classifying an in-distribution sample as OOD. In our experiments, we find that threshold-based tests proposed in prior work perform well in specific settings, but not uniformly well across different types of OOD instances. In contrast, our proposed method that combines multiple statistics performs uniformly well across different datasets and neural networks.  ( 2 min )

Gaussian Graphical Models (GGMs) are widely used for exploratory data analysis in various fields such as genomics, ecology, psychometry. In a high-dimensional setting, when the number of variables exceeds the number of observations by several orders of magnitude, the estimation of GGM is a difficult and unstable optimization problem. Clustering of variables or variable selection is often performed prior to GGM estimation. We propose a new method allowing to simultaneously infer a hierarchical clustering structure and the graphs describing the structure of independence at each level of the hierarchy. This method is based on solving a convex optimization problem combining a graphical lasso penalty with a fused type lasso penalty. Results on real and synthetic data are presented.

The theory of reinforcement learning has focused on two fundamental problems: achieving low regret, and identifying $\epsilon$-optimal policies. While a simple reduction allows one to apply a low-regret algorithm to obtain an $\epsilon$-optimal policy and achieve the worst-case optimal rate, it is unknown whether low-regret algorithms can obtain the instance-optimal rate for policy identification. We show this is not possible -- there exists a fundamental tradeoff between achieving low regret and identifying an $\epsilon$-optimal policy at the instance-optimal rate. Motivated by our negative finding, we propose a new measure of instance-dependent sample complexity for PAC tabular reinforcement learning which explicitly accounts for the attainable state visitation distributions in the underlying MDP. We then propose and analyze a novel, planning-based algorithm which attains this sample complexity -- yielding a complexity which scales with the suboptimality gaps and the "reachability" of a state. We show our algorithm is nearly minimax optimal, and on several examples that our instance-dependent sample complexity offers significant improvements over worst-case bounds.

The modeling and uncertainty quantification of closed curves is an important problem in the field of shape analysis, and can have significant ramifications for subsequent statistical tasks. Many of these tasks involve collections of closed curves, which often exhibit structural similarities at multiple levels. Modeling multiple closed curves in a way that efficiently incorporates such between-curve dependence remains a challenging problem. In this work, we propose and investigate a multiple-output (a.k.a. multi-output), multi-dimensional Gaussian process modeling framework. We illustrate the proposed methodological advances, and demonstrate the utility of meaningful uncertainty quantification, on several curve and shape-related tasks. This model-based approach not only addresses the problem of inference on closed curves (and their shapes) with kernel constructions, but also opens doors to nonparametric modeling of multi-level dependence for functional objects in general.

We present a fairly general framework for reducing $(\varepsilon, \delta)$ differentially private (DP) statistical estimation to its non-private counterpart. As the main application of this framework, we give a polynomial time and $(\varepsilon,\delta)$-DP algorithm for learning (unrestricted) Gaussian distributions in $\mathbb{R}^d$. The sample complexity of our approach for learning the Gaussian up to total variation distance $\alpha$ is $\widetilde{O}(d^2/\alpha^2 + d^2\sqrt{\ln(1/\delta)}/\alpha \varepsilon + d\ln(1/\delta) / \alpha \varepsilon)$ matching (up to logarithmic factors) the best known information-theoretic (non-efficient) sample complexity upper bound due to Aden-Ali, Ashtiani, and Kamath (ALT'21). In an independent work, Kamath, Mouzakis, Singhal, Steinke, and Ullman (arXiv:2111.04609) proved a similar result using a different approach and with $O(d^{5/2})$ sample complexity dependence on $d$. As another application of our framework, we provide the first polynomial time $(\varepsilon, \delta)$-DP algorithm for robust learning of (unrestricted) Gaussians with sample complexity $\widetilde{O}(d^{3.5})$. In another independent work, Kothari, Manurangsi, and Velingker (arXiv:2112.03548) also provided a polynomial time $(\varepsilon, \delta)$-DP algorithm for robust learning of Gaussians with sample complexity $\widetilde{O}(d^8)$.

This paper studies the learning of linear operators between infinite-dimensional Hilbert spaces. The training data comprises pairs of random input vectors in a Hilbert space and their noisy images under an unknown self-adjoint linear operator. Assuming that the operator is diagonalizable in a known basis, this work solves the equivalent inverse problem of estimating the operator's eigenvalues given the data. Adopting a Bayesian approach, the theoretical analysis establishes posterior contraction rates in the infinite data limit with Gaussian priors that are not directly linked to the forward map of the inverse problem. The main results also include learning-theoretic generalization error guarantees for a wide range of distribution shifts. These convergence rates quantify the effects of data smoothness and true eigenvalue decay or growth, for compact or unbounded operators, respectively, on sample complexity. Numerical evidence supports the theory in diagonal and non-diagonal settings.

We propose a novel nonparametric two-sample test based on the Maximum Mean Discrepancy (MMD), which is constructed by aggregating tests with different kernel bandwidths. This aggregation procedure, called MMDAgg, ensures that test power is maximised over the collection of kernels used, without requiring held-out data for kernel selection (which results in a loss of test power), or arbitrary kernel choices such as the median heuristic. We work in the non-asymptotic framework, and prove that our aggregated test is minimax adaptive over Sobolev balls. Our guarantees are not restricted to a specific kernel, but hold for any product of one-dimensional translation invariant characteristic kernels which are absolutely and square integrable. Moreover, our results apply for popular numerical procedures to determine the test threshold, namely permutations and the wild bootstrap. Through numerical experiments on both synthetic and real-world datasets, we demonstrate that MMDAgg outperforms alternative state-of-the-art approaches to MMD kernel adaptation for two-sample testing.

We consider the problem of controlling an unknown linear dynamical system under a stochastic convex cost and full feedback of both the state and cost function. We present a computationally efficient algorithm that attains an optimal $\sqrt{T}$ regret-rate compared to the best stabilizing linear controller in hindsight. In contrast to previous work, our algorithm is based on the Optimism in the Face of Uncertainty paradigm. This results in a substantially improved computational complexity and a simpler analysis.

We propose to adopt statistical regression as the projection operator to enable data-driven learning of the operators in the Mori--Zwanzig formalism. We present a principled method to extract the Markov and memory operators for any regression models. We show that the choice of linear regression results in a recently proposed data-driven learning algorithm based on Mori's projection operator, which is a higher-order approximate Koopman learning method. We show that more expressive nonlinear regression models naturally fill in the gap between the highly idealized and computationally efficient Mori's projection operator and the most optimal yet computationally infeasible Zwanzig's projection operator. We performed numerical experiments and extracted the operators for an array of regression-based projections, including linear, polynomial, spline, and neural-network-based regressions, showing a progressive improvement as the complexity of the regression model increased. Our proposition provides a general framework to extract memory-dependent corrections and can be readily applied to an array of data-driven learning methods for stationary dynamical systems in the literature.

NDCG, namely Normalized Discounted Cumulative Gain, is a widely used ranking metric in information retrieval and machine learning. However, efficient and provable stochastic methods for maximizing NDCG are still lacking, especially for deep models. In this paper, we propose a principled approach to optimize NDCG and its top-$K$ variant. First, we formulate a novel compositional optimization problem for optimizing the NDCG surrogate, and a novel bilevel compositional optimization problem for optimizing the top-$K$ NDCG surrogate. Then, we develop efficient stochastic algorithms with provable convergence guarantees for the non-convex objectives. Different from existing NDCG optimization methods, the per-iteration complexity of our algorithms scales with the mini-batch size instead of the number of total items. To improve the effectiveness for deep learning, we further propose practical strategies by using initial warm-up and stop gradient operator. Experimental results on multiple datasets demonstrate that our methods outperform prior ranking approaches in terms of NDCG. To the best of our knowledge, this is the first time that stochastic algorithms are proposed to optimize NDCG with a provable convergence guarantee. Our proposed methods are implemented in the LibAUC library at https://libauc.org/.

Researchers may perform regressions using a sketch of data of size $m$ instead of the full sample of size $n$ for a variety of reasons. This paper considers the case when the regression errors do not have constant variance and heteroskedasticity robust standard errors would normally be needed for test statistics to provide accurate inference. We show that estimates using data sketched by random projections will behave `as if' the errors were homoskedastic. Estimation by random sampling would not have this property. The result arises because the sketched estimates in the case of random projections can be expressed as degenerate $U$-statistics, and under certain conditions, these statistics are asymptotically normal with homoskedastic variance. We verify that the conditions hold not only in the case of least squares regression when the covariates are exogenous, but also in instrumental variables estimation when the covariates are endogenous. The result implies that inference, including first-stage F tests for instrument relevance, can be simpler than the full sample case if the sketching scheme is appropriately chosen.

This paper is about the feasibility and means of root-n consistently estimating linear, mean-square continuous functionals of a high dimensional, approximately sparse regression. Such objects include a wide variety of interesting parameters such as regression coefficients, average derivatives, and the average treatment effect. We give lower bounds on the convergence rate of estimators of a regression slope and an average derivative and find that these bounds are substantially larger than in a low dimensional, semiparametric setting. We also give debiased machine learners that are root-n consistent under either a minimal approximate sparsity condition or rate double robustness. These estimators improve on existing estimators in being root-n consistent under more general conditions that previously known.

To minimize the average of a set of log-convex functions, the stochastic Newton method iteratively updates its estimate using subsampled versions of the full objective's gradient and Hessian. We contextualize this optimization problem as sequential Bayesian inference on a latent state-space model with a discriminatively-specified observation process. Applying Bayesian filtering then yields a novel optimization algorithm that considers the entire history of gradients and Hessians when forming an update. We establish matrix-based conditions under which the effect of older observations diminishes over time, in a manner analogous to Polyak's heavy ball momentum. We illustrate various aspects of our approach with an example and review other relevant innovations for the stochastic Newton method.

Generative deep neural networks used in machine learning, like the Variational Auto-Encoders (VAE), and Generative Adversarial Networks (GANs) produce new objects each time when asked to do so with the constraint that the new objects remain similar to some list of examples given as input. However, this behavior is unlike that of human artists that change their style as times go by and seldom return to the initial creations. We investigate a situation where VAEs are used to sample from a probability measure described by some empirical dataset. Based on recent works on Radon-Sobolev statistical distances, we propose a numerical paradigm, to be used in conjunction with a generative algorithm, that satisfies the two following requirements: the objects created do not repeat and evolve to fill the entire target probability measure.

Sparse subspace clustering methods with sparsity induced by $\ell^{0}$-norm, such as $\ell^{0}$-Sparse Subspace Clustering ($\ell^{0}$-SSC)~\citep{YangFJYH16-L0SSC-ijcv}, are demonstrated to be more effective than its $\ell^{1}$ counterpart such as Sparse Subspace Clustering (SSC)~\citep{ElhamifarV13}. However, the theoretical analysis of $\ell^{0}$-SSC is restricted to clean data that lie exactly in subspaces. Real data often suffer from noise and they may lie close to subspaces. In this paper, we show that an optimal solution to the optimization problem of noisy $\ell^{0}$-SSC achieves subspace detection property (SDP), a key element with which data from different subspaces are separated, under deterministic and semi-random model. Our results provide theoretical guarantee on the correctness of noisy $\ell^{0}$-SSC in terms of SDP on noisy data for the first time, which reveals the advantage of noisy $\ell^{0}$-SSC in terms of much less restrictive condition on subspace affinity. In order to improve the efficiency of noisy $\ell^{0}$-SSC, we propose Noisy-DR-$\ell^{0}$-SSC which provably recovers the subspaces on dimensionality reduced data. Noisy-DR-$\ell^{0}$-SSC first projects the data onto a lower dimensional space by random projection, then performs noisy $\ell^{0}$-SSC on the projected data for improved efficiency. Experimental results demonstrate the effectiveness of Noisy-DR-$\ell^{0}$-SSC.

We study the efficiency of Thompson sampling for contextual bandits. Existing Thompson sampling-based algorithms need to construct a Laplace approximation (i.e., a Gaussian distribution) of the posterior distribution, which is inefficient to sample in high dimensional applications for general covariance matrices. Moreover, the Gaussian approximation may not be a good surrogate for the posterior distribution for general reward generating functions. We propose an efficient posterior sampling algorithm, viz., Langevin Monte Carlo Thompson Sampling (LMC-TS), that uses Markov Chain Monte Carlo (MCMC) methods to directly sample from the posterior distribution in contextual bandits. Our method is computationally efficient since it only needs to perform noisy gradient descent updates without constructing the Laplace approximation of the posterior distribution. We prove that the proposed algorithm achieves the same sublinear regret bound as the best Thompson sampling algorithms for a special case of contextual bandits, viz., linear contextual bandits. We conduct experiments on both synthetic data and real-world datasets on different contextual bandit models, which demonstrates that directly sampling from the posterior is both computationally efficient and competitive in performance.

The low rank MDP has emerged as an important model for studying representation learning and exploration in reinforcement learning. With a known representation, several model-free exploration strategies exist. In contrast, all algorithms for the unknown representation setting are model-based, thereby requiring the ability to model the full dynamics. In this work, we present the first model-free representation learning algorithms for low rank MDPs. The key algorithmic contribution is a new minimax representation learning objective, for which we provide variants with differing tradeoffs in their statistical and computational properties. We interleave this representation learning step with an exploration strategy to cover the state space in a reward-free manner. The resulting algorithms are provably sample efficient and can accommodate general function approximation to scale to complex environments.

Tensors, which provide a powerful and flexible model for representing multi-attribute data and multi-way interactions, play an indispensable role in modern data science across various fields in science and engineering. A fundamental task is to faithfully recover the tensor from highly incomplete measurements in a statistically and computationally efficient manner. Harnessing the low-rank structure of tensors in the Tucker decomposition, this paper develops a scaled gradient descent (ScaledGD) algorithm to directly recover the tensor factors with tailored spectral initializations, and shows that it provably converges at a linear rate independent of the condition number of the ground truth tensor for two canonical problems -- tensor completion and tensor regression -- as soon as the sample size is above the order of $n^{3/2}$ ignoring other parameter dependencies, where $n$ is the dimension of the tensor. This leads to an extremely scalable approach to low-rank tensor estimation compared with prior art, which suffers from at least one of the following drawbacks: extreme sensitivity to ill-conditioning, high per-iteration costs in terms of memory and computation, or poor sample complexity guarantees. To the best of our knowledge, ScaledGD is the first algorithm that achieves near-optimal statistical and computational complexities simultaneously for low-rank tensor completion with the Tucker decomposition. Our algorithm highlights the power of appropriate preconditioning in accelerating nonconvex statistical estimation, where the iteration-varying preconditioners promote desirable invariance properties of the trajectory with respect to the underlying symmetry in low-rank tensor factorization.

It is common in computer vision to be confronted with domain shift: images which have the same class but different acquisition conditions. In domain adaptation (DA), one wants to classify unlabeled target images using source labeled images. Unfortunately, deep neural networks trained on a source training set perform poorly on target images which do not belong to the training domain. One strategy to improve these performances is to align the source and target image distributions in an embedded space using optimal transport (OT). However OT can cause negative transfer, i.e. aligning samples with different labels, which leads to overfitting especially in the presence of label shift between domains. In this work, we mitigate negative alignment by explaining it as a noisy label assignment to target images. We then mitigate its effect by appropriate regularization. We propose to couple the MixUp regularization \citep{zhang2018mixup} with a loss that is robust to noisy labels in order to improve domain adaptation performance. We show in an extensive ablation study that a combination of the two techniques is critical to achieve improved performance. Finally, we evaluate our method, called \textsc{mixunbot}, on several benchmarks and real-world DA problems.

Active learning methods have shown great promise in reducing the number of samples necessary for learning. As automated learning systems are adopted into real-time, real-world decision-making pipelines, it is increasingly important that such algorithms are designed with safety in mind. In this work we investigate the complexity of learning the best safe decision in interactive environments. We reduce this problem to a constrained linear bandits problem, where our goal is to find the best arm satisfying certain (unknown) safety constraints. We propose an adaptive experimental design-based algorithm, which we show efficiently trades off between the difficulty of showing an arm is unsafe vs suboptimal. To our knowledge, our results are the first on best-arm identification in linear bandits with safety constraints. In practice, we demonstrate that this approach performs well on synthetic and real world datasets.

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other and to the Weisfeiler--Leman hierarchy. Moreover, current approaches either use all subgraphs of a given size, sample them uniformly at random, or use hand-crafted heuristics instead of learning to select subgraphs in a data-driven manner. Here, we offer a unified way to study such architectures by introducing a theoretical framework and extending the known expressivity results of subgraph-enhanced GNNs. Concretely, we show that increasing subgraph size always increases the expressive power and develop a better understanding of their limitations by relating them to the established $k\text{-}\mathsf{WL}$ hierarchy. In addition, we explore different approaches for learning to sample subgraphs using recent methods for backpropagating through complex discrete probability distributions. Empirically, we study the predictive performance of different subgraph-enhanced GNNs, showing that our data-driven architectures increase prediction accuracy on standard benchmark datasets compared to non-data-driven subgraph-enhanced graph neural networks while reducing computation time.

Missing values are unavoidable in many applications of machine learning and present a challenge both during training and at test time. When variables are missing in recurring patterns, fitting separate pattern submodels have been proposed as a solution. However, independent models do not make efficient use of all available data. Conversely, fitting a shared model to the full data set typically relies on imputation which may be suboptimal when missingness depends on unobserved factors. We propose an alternative approach, called sharing pattern submodels, which make predictions that are a) robust to missing values at test time, b) maintains or improves the predictive power of pattern submodels, and c) has a short description enabling improved interpretability. We identify cases where sharing is provably optimal, even when missingness itself is predictive and when the prediction target depends on unobserved variables. Classification and regression experiments on synthetic data and two healthcare data sets demonstrate that our models achieve a favorable trade-off between pattern specialization and information sharing.

Mini-batch SGD with momentum is a fundamental algorithm for learning large predictive models. In this paper we develop a new analytic framework to analyze mini-batch SGD for linear models at different momenta and sizes of batches. Our key idea is to describe the loss value sequence in terms of its generating function, which can be written in a compact form assuming a diagonal approximation for the second moments of model weights. By analyzing this generating function, we deduce various conclusions on the convergence conditions, phase structure of the model, and optimal learning settings. As a few examples, we show that 1) the optimization trajectory can generally switch from the "signal-dominated" to the "noise-dominated" phase, at a time scale that can be predicted analytically; 2) in the "signal-dominated" (but not the "noise-dominated") phase it is favorable to choose a large effective learning rate, however its value must be limited for any finite batch size to avoid divergence; 3) optimal convergence rate can be achieved at a negative momentum. We verify our theoretical predictions by extensive experiments with MNIST and synthetic problems, and find a good quantitative agreement.

We discuss how MultiFIT, the Multiscale Fisher's Independence Test for Multivariate Dependence proposed by Gorsky and Ma (2022), compares to existing linear-time kernel tests based on the Hilbert-Schmidt independence criterion (HSIC). We highlight the fact that the levels of the kernel tests at any finite sample size can be controlled exactly, as it is the case with the level of MultiFIT. In our experiments, we observe some of the performance limitations of MultiFIT in terms of test power.

We present a novel graph neural network we call AgentNet, which is designed specifically for graph-level tasks. AgentNet is inspired by sublinear algorithms, featuring a computational complexity that is independent of the graph size. The architecture of AgentNet differs fundamentally from the architectures of known graph neural networks. In AgentNet, some trained \textit{neural agents} intelligently walk the graph, and then collectively decide on the output. We provide an extensive theoretical analysis of AgentNet: We show that the agents can learn to systematically explore their neighborhood and that AgentNet can distinguish some structures that are even indistinguishable by 3-WL. Moreover, AgentNet is able to separate any two graphs which are sufficiently different in terms of subgraphs. We confirm these theoretical results with synthetic experiments on hard-to-distinguish graphs and real-world graph classification tasks. In both cases, we compare favorably not only to standard GNNs but also to computationally more expensive GNN extensions.

Recent progress in center-based clustering algorithms combats poor local minima by implicit annealing, using a family of generalized means. These methods are variations of Lloyd's celebrated $k$-means algorithm, and are most appropriate for spherical clusters such as those arising from Gaussian data. In this paper, we bridge these algorithmic advances to classical work on hard clustering under Bregman divergences, which enjoy a bijection to exponential family distributions and are thus well-suited for clustering objects arising from a breadth of data generating mechanisms. The elegant properties of Bregman divergences allow us to maintain closed form updates in a simple and transparent algorithm, and moreover lead to new theoretical arguments for establishing finite sample bounds that relax the bounded support assumption made in the existing state of the art. Additionally, we consider thorough empirical analyses on simulated experiments and a case study on rainfall data, finding that the proposed method outperforms existing peer methods in a variety of non-Gaussian data settings.

Uniformity testing is one of the most well-studied problems in property testing, with many known test statistics, including ones based on counting collisions, singletons, and the empirical TV distance. It is known that the optimal sample complexity to distinguish the uniform distribution on $m$ elements from any $\epsilon$-far distribution with $1-\delta$ probability is $n = \Theta\left(\frac{\sqrt{m \log (1/\delta)}}{\epsilon^2} + \frac{\log (1/\delta)}{\epsilon^2}\right)$, which is achieved by the empirical TV tester. Yet in simulation, these theoretical analyses are misleading: in many cases, they do not correctly rank order the performance of existing testers, even in an asymptotic regime of all parameters tending to $0$ or $\infty$. We explain this discrepancy by studying the \emph{constant factors} required by the algorithms. We show that the collisions tester achieves a sharp maximal constant in the number of standard deviations of separation between uniform and non-uniform inputs. We then introduce a new tester based on the Huber loss, and show that it not only matches this separation, but also has tails corresponding to a Gaussian with this separation. This leads to a sample complexity of $(1 + o(1))\frac{\sqrt{m \log (1/\delta)}}{\epsilon^2}$ in the regime where this term is dominant, unlike all other existing testers.

The mechanisms by which certain training interventions, such as increasing learning rates and applying batch normalization, improve the generalization of deep networks remains a mystery. Prior works have speculated that "flatter" solutions generalize better than "sharper" solutions to unseen data, motivating several metrics for measuring flatness (particularly $\lambda_{max}$, the largest eigenvalue of the Hessian of the loss); and algorithms, such as Sharpness-Aware Minimization (SAM) [1], that directly optimize for flatness. Other works question the link between $\lambda_{max}$ and generalization. In this paper, we present findings that call $\lambda_{max}$'s influence on generalization further into question. We show that: (1) while larger learning rates reduce $\lambda_{max}$ for all batch sizes, generalization benefits sometimes vanish at larger batch sizes; (2) by scaling batch size and learning rate simultaneously, we can change $\lambda_{max}$ without affecting generalization; (3) while SAM produces smaller $\lambda_{max}$ for all batch sizes, generalization benefits (also) vanish with larger batch sizes; (4) for dropout, excessively high dropout probabilities can degrade generalization, even as they promote smaller $\lambda_{max}$; and (5) while batch-normalization does not consistently produce smaller $\lambda_{max}$, it nevertheless confers generalization benefits. While our experiments affirm the generalization benefits of large learning rates and SAM for minibatch SGD, the GD-SGD discrepancy demonstrates limits to $\lambda_{max}$'s ability to explain generalization in neural networks.

In fluid team sports such as soccer and basketball, analyzing team formation is one of the most intuitive ways to understand tactics from domain participants' point of view. However, existing approaches either assume that team formation is consistent throughout a match or assign formations frame-by-frame, which disagree with real situations. To tackle this issue, we propose a change-point detection framework named SoccerCPD that distinguishes tactically intended formation and role changes from temporary changes in soccer matches. We first assign roles to players frame-by-frame and perform two-step change-point detections: (1) formation change-point detection based on the sequence of role-adjacency matrices and (2) role change-point detection based on the sequence of role permutations. The evaluation of SoccerCPD using the ground truth annotated by domain experts shows that our method accurately detects the points of tactical changes and estimates the formation and role assignment per segment. Lastly, we introduce practical use-cases that domain participants can easily interpret and utilize.

Deep matrix factorizations (deep MFs) are recent unsupervised data mining techniques inspired by constrained low-rank approximations. They aim to extract complex hierarchies of features within high-dimensional datasets. Most of the loss functions proposed in the literature to evaluate the quality of deep MF models and the underlying optimization frameworks are not consistent because different losses are used at different layers. In this paper, we introduce two meaningful loss functions for deep MF and present a generic framework to solve the corresponding optimization problems. We illustrate the effectiveness of this approach through the integration of various constraints and regularizations, such as sparsity, nonnegativity and minimum-volume. The models are successfully applied on both synthetic and real data, namely for hyperspectral unmixing and extraction of facial features.

We give the first polynomial time algorithm for \emph{list-decodable covariance estimation}. For any $\alpha > 0$, our algorithm takes input a sample $Y \subseteq \mathbb{R}^d$ of size $n\geq d^{\mathsf{poly}(1/\alpha)}$ obtained by adversarially corrupting an $(1-\alpha)n$ points in an i.i.d. sample $X$ of size $n$ from the Gaussian distribution with unknown mean $\mu_*$ and covariance $\Sigma_*$. In $n^{\mathsf{poly}(1/\alpha)}$ time, it outputs a constant-size list of $k = k(\alpha)= (1/\alpha)^{\mathsf{poly}(1/\alpha)}$ candidate parameters that, with high probability, contains a $(\hat{\mu},\hat{\Sigma})$ such that the total variation distance $TV(\mathcal{N}(\mu_*,\Sigma_*),\mathcal{N}(\hat{\mu},\hat{\Sigma}))<1-O_{\alpha}(1)$. This is the statistically strongest notion of distance and implies multiplicative spectral and relative Frobenius distance approximation for parameters with dimension independent error. Our algorithm works more generally for $(1-\alpha)$-corruptions of any distribution $D$ that possesses low-degree sum-of-squares certificates of two natural analytic properties: 1) anti-concentration of one-dimensional marginals and 2) hypercontractivity of degree 2 polynomials. Prior to our work, the only known results for estimating covariance in the list-decodable setting were for the special cases of list-decodable linear regression and subspace recovery due to Karmarkar, Klivans, and Kothari (2019), Raghavendra and Yau (2019 and 2020) and Bakshi and Kothari (2020). These results need superpolynomial time for obtaining any subconstant error in the underlying dimension. Our result implies the first polynomial-time \emph{exact} algorithm for list-decodable linear regression and subspace recovery that allows, in particular, to obtain $2^{-\mathsf{poly}(d)}$ error in polynomial-time. Our result also implies an improved algorithm for clustering non-spherical mixtures.

Dropout is one of the most popular regularization techniques in neural network training. Because of its power and simplicity of idea, dropout has been analyzed extensively and many variants have been proposed. In this paper, several properties of dropout are discussed in a unified manner from the viewpoint of information geometry. We showed that dropout flattens the model manifold and that their regularization performance depends on the amount of the curvature. Then, we showed that dropout essentially corresponds to a regularization that depends on the Fisher information, and support this result from numerical experiments. Such a theoretical analysis of the technique from a different perspective is expected to greatly assist in the understanding of neural networks, which are still in their infancy.

Assessment of model fitness is an important step in many problems. Models are typically fitted to training data by minimizing a loss function, such as the squared-error or negative log-likelihood, and it is natural to desire low losses on future data. This letter considers the use of a test data set to characterize the out-of-sample losses of a model. We propose a simple model diagnostic tool that provides finite-sample guarantees under weak assumptions. The tool is computationally efficient and can be interpreted as an empirical quantile. Several numerical experiments are presented to show how the proposed method quantifies the impact of distribution shifts, aids the analysis of regression, and enables model selection as well as hyper-parameter tuning.

Most prior convergence results on differentially private stochastic gradient descent (DP-SGD) are derived under the simplistic assumption of uniform Lipschitzness, i.e., the per-sample gradients are uniformly bounded. This assumption is unrealistic in many problems, e.g., linear regression with Gaussian data. We relax uniform Lipschitzness by instead assuming that the per-sample gradients have \textit{sample-dependent} upper bounds, i.e., per-sample Lipschitz constants, which themselves may be unbounded. We derive new convergence results for DP-SGD on both convex and nonconvex functions when the per-sample Lipschitz constants have bounded moments. Furthermore, we provide principled guidance on choosing the clip norm in DP-SGD for convex settings satisfying our relaxed version of Lipschitzness, without making distributional assumptions on the Lipschitz constants. We verify the effectiveness of our recommendation via experiments on benchmarking datasets.

We study reward-free reinforcement learning (RL) under general non-linear function approximation, and establish sample efficiency and hardness results under various standard structural assumptions. On the positive side, we propose the RFOLIVE (Reward-Free OLIVE) algorithm for sample-efficient reward-free exploration under minimal structural assumptions, which covers the previously studied settings of linear MDPs (Jin et al., 2020b), linear completeness (Zanette et al., 2020b) and low-rank MDPs with unknown representation (Modi et al., 2021). Our analyses indicate that the explorability or reachability assumptions, previously made for the latter two settings, are not necessary statistically for reward-free exploration. On the negative side, we provide a statistical hardness result for both reward-free and reward-aware exploration under linear completeness assumptions when the underlying features are unknown, showing an exponential separation between low-rank and linear completeness settings.

Gaussian Processes (GPs) are highly expressive, probabilistic models. A major limitation is their computational complexity. Naively, exact GP inference requires $\mathcal{O}(N^3)$ computations with $N$ denoting the number of modeled points. Current approaches to overcome this limitation either rely on sparse, structured or stochastic representations of data or kernel respectively and usually involve nested optimizations to evaluate a GP. We present a new, generative method named Iterative Charted Refinement (ICR) to model GPs on nearly arbitrarily spaced points in $\mathcal{O}(N)$ time for decaying kernels without nested optimizations. ICR represents long- as well as short-range correlations by combining views of the modeled locations at varying resolutions with a user-provided coordinate chart. In our experiment with points whose spacings vary over two orders of magnitude, ICR's accuracy is comparable to state-of-the-art GP methods. ICR outperforms existing methods in terms of computational speed by one order of magnitude on the CPU and GPU and has already been successfully applied to model a GP with $122$ billion parameters.

We state concentration and martingale inequalities for the output of the hidden layers of a stochastic deep neural network (SDNN), as well as for the output of the whole SDNN. These results allow us to introduce an expected classifier (EC), and to give probabilistic upper bound for the classification error of the EC. We also state the optimal number of layers for the SDNN via an optimal stopping procedure. We apply our analysis to a stochastic version of a feedforward neural network with ReLU activation function.

We show that the input correlation matrix of typical classification datasets has an eigenspectrum where, after a sharp initial drop, a large number of small eigenvalues are distributed uniformly over an exponentially large range. This structure is mirrored in a network trained on this data: we show that the Hessian and the Fisher Information Matrix (FIM) have eigenvalues that are spread uniformly over exponentially large ranges. We call such eigenspectra "sloppy" because sets of weights corresponding to small eigenvalues can be changed by large magnitudes without affecting the loss. Networks trained on atypical datasets with non-sloppy inputs do not share these traits and deep networks trained on such datasets generalize poorly. Inspired by this, we study the hypothesis that sloppiness of inputs aids generalization in deep networks. We show that if the Hessian is sloppy, we can compute non-vacuous PAC-Bayes generalization bounds analytically. By exploiting our empirical observation that training predominantly takes place in the non-sloppy subspace of the FIM, we develop data-distribution dependent PAC-Bayes priors that lead to accurate generalization bounds using numerical optimization.

We investigate properties of goodness-of-fit tests based on the Kernel Stein Discrepancy (KSD). We introduce a strategy to construct a test, called KSDAgg, which aggregates multiple tests with different kernels. KSDAgg avoids splitting the data to perform kernel selection (which leads to a loss in test power), and rather maximises the test power over a collection of kernels. We provide theoretical guarantees on the power of KSDAgg: we show it achieves the smallest uniform separation rate of the collection, up to a logarithmic term. KSDAgg can be computed exactly in practice as it relies either on a parametric bootstrap or on a wild bootstrap to estimate the quantiles and the level corrections. In particular, for the crucial choice of bandwidth of a fixed kernel, it avoids resorting to arbitrary heuristics (such as median or standard deviation) or to data splitting. We find on both synthetic and real-world data that KSDAgg outperforms other state-of-the-art adaptive KSD-based goodness-of-fit testing procedures.

We propose the Bayes-UCBVI algorithm for reinforcement learning in tabular, stage-dependent, episodic Markov decision process: a natural extension of the Bayes-UCB algorithm by Kaufmann et al. (2012) for multi-armed bandits. Our method uses the quantile of a Q-value function posterior as upper confidence bound on the optimal Q-value function. For Bayes-UCBVI, we prove a regret bound of order $\widetilde{O}(\sqrt{H^3SAT})$ where $H$ is the length of one episode, $S$ is the number of states, $A$ the number of actions, $T$ the number of episodes, that matches the lower-bound of $\Omega(\sqrt{H^3SAT})$ up to poly-$\log$ terms in $H,S,A,T$ for a large enough $T$. To the best of our knowledge, this is the first algorithm that obtains an optimal dependence on the horizon $H$ (and $S$) without the need for an involved Bernstein-like bonus or noise. Crucial to our analysis is a new fine-grained anti-concentration bound for a weighted Dirichlet sum that can be of independent interest. We then explain how Bayes-UCBVI can be easily extended beyond the tabular setting, exhibiting a strong link between our algorithm and Bayesian bootstrap (Rubin, 1981).

We investigate the cold posterior effect through the lens of PAC-Bayes generalization bounds. We argue that in the non-asymptotic setting, when the number of training samples is (relatively) small, discussions of the cold posterior effect should take into account that approximate Bayesian inference does not readily provide guarantees of performance on out-of-sample data. Instead, out-of-sample error is better described through a generalization bound. In this context, we explore the connections between the ELBO objective from variational inference and the PAC-Bayes objectives. We note that, while the ELBO and PAC-Bayes objectives are similar, the latter objectives naturally contain a temperature parameter $\lambda$ which is not restricted to be $\lambda=1$. For both regression and classification tasks, in the case of isotropic Laplace approximations to the posterior, we show how this PAC-Bayesian interpretation of the temperature parameter captures the cold posterior effect.

Bilevel optimization have gained growing interests, with numerous applications found in meta learning, minimax games, reinforcement learning, and nested composition optimization. This paper studies the problem of distributed bilevel optimization over a network where agents can only communicate with neighbors, including examples from multi-task, multi-agent learning and federated learning. In this paper, we propose a gossip-based distributed bilevel learning algorithm that allows networked agents to solve both the inner and outer optimization problems in a single timescale and share information via network propagation. We show that our algorithm enjoys the $\mathcal{O}(\frac{1}{K \epsilon^2})$ per-agent sample complexity for general nonconvex bilevel optimization and $\mathcal{O}(\frac{1}{K \epsilon})$ for strongly convex objective, achieving a speedup that scales linearly with the network size. The sample complexities are optimal in both $\epsilon$ and $K$. We test our algorithm on the examples of hyperparameter tuning and decentralized reinforcement learning. Simulated experiments confirmed that our algorithm achieves the state-of-the-art training efficiency and test accuracy.

Dynamical systems minimizing an energy are ubiquitous in geometry and physics. We propose a gradient flow framework for GNNs where the equations follow the direction of steepest descent of a learnable energy. This approach allows to explain the GNN evolution from a multi-particle perspective as learning attractive and repulsive forces in feature space via the positive and negative eigenvalues of a symmetric "channel-mixing" matrix. We perform spectral analysis of the solutions and conclude that gradient flow graph convolutional models can induce a dynamics dominated by the graph high frequencies which is desirable for heterophilic datasets. We also describe structural constraints on common GNN architectures allowing to interpret them as gradient flows. We perform thorough ablation studies corroborating our theoretical analysis and show competitive performance of simple and lightweight models on real-world homophilic and heterophilic datasets.

I have a trained model (.h5) saved. I need to do the following in Java. Can I load this model and then convert it to an onnx model and save that onnx model? Any lead is appreciated! submitted by /u/Negative_Internet514 [link] [comments]  ( 83 min )

Part of my graduation project is to classify body organs such as the heart and liver. I searched a lot and did not find anything, so I decided to bring a 3d models of the body organs and start working on collecting a dataset . I collected about 100,000 images for each of the 4 organs. My question here is whether this data is considered It has any value, in other words, to put it on Kaggle or any another website or has no value ? submitted by /u/NourOmran [link] [comments]  ( 84 min )

Apologies if this isn't the right place to ask. But I'm currently studying point cloud-based networks like pointcloud++, and all the related 3d object detection networks like pointpillars, voxelnet, etc. While I (think) understand the algorithms like feature propagation in pointnet++. I'm having trouble understanding how would one implement them. Or Where could I learn about writing operations in cuda and making sure they are compatible with backprop? submitted by /u/wowAmaze [link] [comments]  ( 84 min )

I'm new to RL research and I find reading papers incredibly inefficient - I don't know if anyone else agrees. If you're new to the topic, a lot of the time, the "Preliminaries" section isn't detailed enough for you to fully understand the problem. Other times, a new architecture idea is introduced, a bunch of (toy) experiments are run, and for someone with limited experience, it's hard to gain any insight other than to say: maybe this architecture is indeed better, maybe its due to the data/hyperparameter or the improvement is marginal at best. Sometimes you see theoretical results that are very complicated, but it's hard to see its impact. It feels like a calculus student not being told the importance of the Fundamental Theorem of Calculus or Stokes Thoerem, and having to discern it for …  ( 84 min )

Hello, I'm just wondering, what effect does the value of the reward have on the learning process. For example, let's say I have a problem where the agent gets a reward of 100 if they were able to solve a maze, how would the learning be affected if the reward was 1 or 1000000 instead? submitted by /u/AhmedNizam_ [link] [comments]  ( 84 min )

Hi, I wonder value based actor-critic algorithm doesn't use advantage function? I understand that advantage function lowers the variance in actor-critic setting. but why It is not usually adapted in value based algorithm? If possible, could you introduce the rl algorithm with advantage function? Thanks for reading. submitted by /u/Spiritual_Fig3632 [link] [comments]  ( 83 min )

submitted by /u/100M-900 [link] [comments]  ( 83 min )

We train the Deep reinforcement Learning model for IoT devices/Unmanned aerial vehicles at GPU and we have enough resources to train over there, what if we have to train that model on IoTs/UAVs, is it possible for UAV to compute that model? submitted by /u/ShSalmanHassan [link] [comments]  ( 84 min )

In this article, let’s discuss one of the trendy and handy web-scraping tools, Octoparse, and its key features and how to use it for our data-driven solutions. Hope you all are familiar with “WEB SCRAPING” techniques, and the captured data has been used to analyze business perceptions further. If you look at the end-end process… Read More »Exploring Octoparse for Data Preparations and  Product Assessment The post Exploring Octoparse for Data Preparations and  Product Assessment appeared first on Data Science Central.  ( 24 min )

Hi everyone, I am an intensive care nurse and I work for public health in the UK. I have recently taken up a job that involves aiding the transition to a new software called Epic Healthcare. I would like to anticipate that I have a clinical background but little to none experience with AI and machine learning, sorry if I will butcher terms and concepts in the following post. I am getting involved in the digital side of patient care which I find really fascinating, although I realise how it is a couple of decades behind in terms of technology and user interface. One of the problems I am facing at the moment is device integration. A lot of devices are used, especially in intensive care, and their parameters are fed into the electronic health record (EHR) in an hourly cadence in order to …  ( 89 min )

I've never really used AutoML--I prefer to code up my models and data engineering by hand, but I'm beginning to wonder if I can use AutoML as a starting point, e.g., the built-in hyper-parameter optimization or NAS finds a good neural network hyper-params/architecture for me, and I can build on that. With that in mind, what's the SOTA right now? Ideally, it would be as white-box as possible, telling me the models it tries, what worked and didn't, etc. Alternatively, what has worked best for you in your workflows? submitted by /u/FlyingQuokka [link] [comments]  ( 84 min )

Batch indexing into multidimensional tensors/arrays is kind of tricky, I made this project explaining the builtin syntax and also made wrappers for simplifying the interface, with additional features for underlying coordinate grid data (like signed distance functions) that need to be indexed by coordinate value rather than integer indices directly https://github.com/LemonPi/multidim_indexing submitted by /u/LemonByte [link] [comments]  ( 83 min )

One of the most challenging shifts from food delivery to grocery is managing inventory. Although restaurant menu items can sometimes go out of stock, grocery store inventories have far more SKUs and many different ways to track their inventory levels. This complexity of grocery makes it a lot harder to ensure items customers buy are actually available. Knowing what the ground truth is, so that customers can order groceries with confidence, is the subject of a new engineering blog post I wrote, "Building a Source of Truth for an Inventory with Disparate Data Sources". The article explains how we crowd sourced our inventory data from a number of different sources which enabled us to predict which items are likely still on the shelves when customers place an order. Take a look and let me know what you think submitted by /u/Relative_Collection1 [link] [comments]  ( 84 min )

Dear Colleagues We are happy to announce the release of DAMP 2.0 [a]. DAMP (Discord Aware Matrix Profile) is an anomaly detection framework that allows you to search datasets with millions or billions of datapoints, all on a conventional machine [b]. We are not normally so vainglorious as to announce the publication of a paper, however: 1) The code comes bundled with some great new anomaly detection datasets, and there is a real dearth of good datasets in the community (see [c]) 2) Some researchers are working on problems that use anomaly detection as a subroutine, and that is their main computational bottleneck. Because DAMP can be up to 10,000 times faster than other approaches, this may be of interest to the community Best wishes, Yue [a] Matrix Profile XXIV:Scaling Time Series Anomaly Detection to Trillions of Datapoints and Ultra-fast Arriving Data Streams. Yue Lu , Renjie Wu , Abdullah Mueen , Maria A. Zuluaga and Eamonn Keogh. ACM SIGKDD 2022. https://www.cs.ucr.edu/~eamonn/DAMP_long_version.pdf [b] https://sites.google.com/view/discord-aware-matrix-profile [c] Irrational Exuberance Why we should not believe 95% of papers on Time Series Anomaly Detection. https://www.youtube.com/watch?v=Vg1p3DouX8w [d] https://drive.google.com/file/d/1hEgOKtoTuHGPMqR1wty8ff_jes93ra9a/view submitted by /u/ylu175 [link] [comments]  ( 85 min )

So we have image style transfer, there's a lot of good papers and implementations. Is there such thing as audio style transfer, where 1 song keeps its lyrics and melody, but get the other song's style ? e.g. pop music with rock style ? If yes - can you please share a link ? submitted by /u/keremidk0 [link] [comments]  ( 84 min )

Google published results from an seq2seq transformer model for autoregressive image generation. Website: https://parti.research.google/ Paper: https://gweb-research-parti.web.app/parti_paper.pdf submitted by /u/htrp [link] [comments]  ( 85 min )

For those who specialize in adversarial machine learning, are there any black box attacks that do not require the model's output labels when generating adversarial images? I can't seem to find any submitted by /u/berimbolo21 [link] [comments]  ( 83 min )

Yannic made a video about it, and the Fastformer was discussed on reddit before, so I figured I'd ask here: ​ https://preview.redd.it/s12egeoh37791.png?width=528&format=png&auto=webp&s=1a033fbf6e01353aee463f7768fc49048fd44791 ​ Do I understand it correctly that they are just measuring the attention bit, and not the whole layer's performance (as the Y-axis label implies) ? Is the Fastformer appropriate at all for the kinds of tasks that are the bread and butter of the Transformer, like language models and translation? Has anyone here tried the Fastformer on those? submitted by /u/we_are_mammals [link] [comments]  ( 84 min )

I am working on a pytorch project and I have a custom computation that I am so far unable to express as a combination pre-defined pytorch functions (because it's essentially some loops around conv2d calls where I juggle some indices in a 5-d tensor). So currently I use python-loops with some smart padding but that's not the fastest. The only way to speed this up would be, i think, to implement custom cuda kernels. While the computation is not that trivial it is simple in a mathematical way. It can be defined in a single line using lots of indices and sums. I wonder whether there is really nothing I can do? What I am thinking of is something like tensor-comprehensions, but that's deprecated and I didn't get it to install. Is there any modern alternative to tensor-comprehension, or should I switch the language to e.g. julia? Is it possible there to define slightly different conv2d there and have it run natively on the GPU? I don't expect performance comparable to the handwritten conv2d kernels, but the python loops are just quite slow. submitted by /u/LeanderKu [link] [comments]  ( 86 min )

Intro Competition: TPS January 2022, SMAPE as a target metric 📚 In this notebook we'll use: Upgini - Low-code Feature search and enrichment library for supervised machine learning applications.📷 GitHub Baseline model in this notebook is based on u/ambrosm notebook (first place) with some minor changes: Feature engineering part was slightly changed, so we can prepare main features and external features separately; SimpleImputer was added to dataprep pipeline to deal with missing values while adding new external features; Constant scaling factor for the test predictions was removed. How external data & features might help on Kaggle? Kaggle is always about learning and leader board progress (hopefully from learning, not cheating ;-)) And every Kaggler wants to progress as f…  ( 94 min )

Let's say I'm trying to categorize vendors based on their description using some NLP technique. I have a limited dataset of vendors with high quality (low noise) labels. I split in to train/test, and score say 90% accuracy. I then get hold of a dataset for 3d party vendors, which will have much noisier (but still useful) data. Now when I train the model I get an 89% accuracy. How do I interpret this? The noisier data will also go in the test split, and the model is expected to perform worse on those, so even if it's exactly as good as the prior model on the old data, it should have an average worse performance on the new dataset. It could even be better, say scoring 91% on the old data, but 85% on the new data, so the average accuracy looks lower even though you have a better model. Testing the old model on the new test set I guess would settle this? Just curious if there are any best practices. submitted by /u/bandalorian [link] [comments]  ( 88 min )

The open-source lightning.ai framework just launched last week introducing the concept of Lightning Apps. It's basically meant for building anything from production ready ML-system running on multi-node GPU clusters in the cloud to building simple research demos. Starting with a simple use case, a research demo, I wrote a "short" article about it to explain how it roughly works under the hood: Sharing Deep Learning Research Models with Lightning Part 1: Building A Super Resolution App Looking forward to hearing your feedback. I am planning to put together more "substantial" examples, but I was thinking of doing that one step at the time. Will be attending a conference in 3 weeks and am planning to create a research demo alongside the paper I will be presenting, and I was wondering besides Gradio/Dash/Gradio, what are your typical tools and workflows for making research demos. Any cool examples for inspiration? ​ Disclaimer: I recently joined Lightning when I saw an early prototype. As someone who has spent most of my time on research models, I was always intrigued by putting ML models to production. However, I was also always turned of by the tooling that it involved. submitted by /u/seraschka [link] [comments]  ( 86 min )

We are researchers at Carnegie Mellon University studying how software developers identify and act on ethical concerns at work. If you’re interested in helping us advance research in software ethics, please fill out this survey and we’ll reach out to you for a quick interview! P.S. You can check out this Stack Overflow blog post to read more about the direction of our research. Anything you disclose to us during the survey / interview may appear in our study but will not be traceable to you. submitted by /u/curious_cow_99 [link] [comments]  ( 88 min )

TL;DR: Many OOD detectors that are trained with samples from an (unrelated) OOD dataset can be understood by isolating a binary discriminator between in-distribution and OOD. We just published it on arXiv and will present it at ICML 2022. Questions and discussion are very welcome! Full title: Breaking Down Out-of-Distribution Detection: Many Methods Based on OOD Training Data Estimate a Combination of the Same Core Quantities by Julian Bitterwolf, Alexander Meinke, Maximilian Augustin, Matthias Hein. submitted by /u/JBitterwolf [link] [comments]  ( 84 min )

I know that in NLP, there are some benchmark task sets like GLUE, SuperGLUE, etc. I wonder wherer there is any similar benchmark task set for computer vision that we can easily test many tasks in a unified way? submitted by /u/singularpanda [link] [comments]  ( 84 min )

First time posting here. I am working with image timeseries of satellite images. These are essentially 1 hour long video files with the image size of 384 X 384 pix. The images have chunks of data missing, say 20 X 20 pix at different parts of the image. I would say that the missing part of the image is roughly 20%-25%. Now I have the ground truths to train a neural network. But what I am struggling is what primary architecture should I begin with: CNN, LSTM, CNN-LSTM, U-Net? I found this literature: https://arxiv.org/abs/2112.09262 - which exploits a U-net autoencoder architecture to solve the image inpainting problem, but I am not sure how robust this is for 3D (x,y,t) image cubes. Is there anyone experienced here who has worked on image inpainting on video files? Can you please share your experience? If you can point me towards a reliable literature that would be a big help! submitted by /u/bahauddin_onar [link] [comments]  ( 86 min )

Engineering systems progress by addressing used cases of increasing levels of complexity. For example, you start with a 'minimum viable product' and then slowly add features or complexity as things progress. However, this is not how machine learning systems progress. You don't start with 10 positive/negative samples, and then iteratively add more. It's not even wise to start with one (or a few) 'tasks' and then add new ones as things progress. Clearly, iteration (or progress) in machine learning systems does not follow the same pattern as traditional engineering systems. Is there another way to think about iteration? submitted by /u/TheFibo1123 [link] [comments]  ( 89 min )

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According to Gartner, hyperautomation is the number one trend in 2022 and will continue advancing in future. One of the main barriers to hyperautomation is in areas where we’re still struggling to reduce human involvement. Intelligent systems have a hard time matching human visual recognition abilities, despite great advancements in deep learning in computer vision. […]  ( 7 min )

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​ Just finished part 1 of my new tutorial series on Video/Animation with disco diffusion, first one just covers the basics of 2d/3d mode and I also show how to use prompt weights and keyframes to change the scene, like changing from summer to winter in this video ​ ​ https://www.youtube.com/watch?v=HbPz2K40e_k ​ https://reddit.com/link/vibqmd/video/d543o3bus7791/player submitted by /u/prfitofthesngularity [link] [comments]  ( 82 min )

MLOps for free: with Modzy Basic+, you can deploy, run, integrate, and monitor up to five of your own ML/AI models at scale. With Modzy Basic+, you gain access to an enterprise-grade MLOps platform, without the price. Deploy up to five of your own models that can run on a CPU and 4GB of RAM. From there, easily integrate your models into web apps, mobile apps, pipelines or any other tool using our APIs and SDKs, and run up to 10,000 inferences per day. Finally, monitor your models in production to ensure peak performance. To get started running your AI models at scale, sign up for Modzy Basic+ today. The Modzy platform accelerates the deployment, integration, and governance of production-ready AI. With integrations for the leading data science and DevOps tools, teams count on Modzy to quickly and easily build AI-enabled applications in standard, repeatable, and secure ways. By leveraging Modzy as a central location for monitoring all AI across the enterprise or at the edge, teams can establish governance and security while generating higher returns from AI. Get started running your AI at scale with Modzy Basic+ today. submitted by /u/modzykirsten [link] [comments]  ( 83 min )

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Deep learning models with billions of parameters are trained through gradient-based stochastic optimization, thanks to powerful algorithms, systems, and hardware advancements. These algorithms include several hyperparameters that are essential for effective performance. Hyperparameter adjustment is required to control the behavior of a machine learning model. If our hyperparameters are not correctly set, our anticipated model parameters will not minimize the loss function, resulting in poor results. The lousy result suggests that our model has further faults. In actuality, the accuracy or confusion matrix will be worse. Many hyperparameters exist like learning rate, regularisation type, degree, and size of neural network layers. Automating the setting of these hyperparameters and accelerating the training of neural network weights are necessary if domain experts and industry practitioners benefit from the most recent deep learning technologies. Even for specialists, tuning them takes a lot of time and effort; choosing the best hyperparameter configuration frequently depends on factors like cost or latency. Continue reading | Checkout the paper, github submitted by /u/Embarrassed-Fee5513 [link] [comments]  ( 83 min )

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Hi! I'm doing some market research for a data labeling product and want to ask the actual people in the industry (you) for opinions and what actually is the reality for the industry. Any/all responses are super helpful, so thank you in advance if you answer/are able to answer my questions. Does your company use a data labeling tool? If so, what? If not a specific tool, how do you label your data? Who actually does the labeling? Is it engineers? Outsourced? Someone on Fiverr? Are you aware of data labeling tools that exist on the market? If so can you name a company or two that comes to mind? What is the single greatest issue/missing functionality of a current tool you use (if you have one)? Feel free to mention the tool, if that helps add context to the data medium (text, audio, video, image). I'm currently trying to determine what the most important product features are for text/audio labeling, what would those be for you? (e.g. a specific use case, UI/UX functionality, integrations, automation, etc.) What do you think is a fair price for a tool to do data labeling? (specifically text/audio) Even if you can only answer one or several questions, all responses are extremely helpful! Again, thank you so much for your time and for the help. submitted by /u/AnGrAnHo [link] [comments]  ( 83 min )

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Is it possible for an A.I to figure out what weight is only from the image itself and no external data? Thanks submitted by /u/OneFinding1429 [link] [comments]  ( 82 min )

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Why in the paper after the firat step the architecture is splitted to two equal size stacks? ie instead if having a single 55x55 96filter stacks after the first step it has two 55x55 48 filter stack. Correct me if I wrong but i believe it is beacuse they used to divide it cause of not enough computational power, right? submitted by /u/PlentyRadiant4191 [link] [comments]  ( 82 min )

I am currently taking courses in python, but I won't be up to attempting this for... I don't know how long. But one of my goals with python is to create an evolution simulator similar to r/TheBibites, and while considering some limitations with creatures not being able to tell a prey item apart from their own child, I theorycrafted this as a way to give creatures more information about the things they're looking at. I can't find any sources about something like this being done before, but I don't know how to search for those sources given that others probably wouldn't name this the same way I did. So my main question is "does this sound like anything that you already know about?" with the follow up question, "does this sound like it would work?" - - - - - - So the idea is that the creatu…  ( 84 min )

Posted by Jarrod McClean, Staff Research Scientist, Google Quantum AI, and Hsin-Yuan Huang, Graduate Student, Caltech In efforts to learn about the quantum world, scientists face a big obstacle: their classical experience of the world. Whenever a quantum system is measured, the act of this measurement destroys the “quantumness” of the state. For example, if the quantum state is in a superposition of two locations, where it can seem to be in two places at the same time, once it is measured, it will randomly appear either ”here” or “there”, but not both. We only ever see the classical shadows cast by this strange quantum world. A growing number of experiments are implementing machine learning (ML) algorithms to aid in analyzing data, but these have the same limitations as the people they a…  ( 28 min )

Posted by Sara Beery, Student Researcher, and Jonathan Huang, Research Scientist, Google Research, Perception Team Over four billion people live in cities around the globe, and while most people interact daily with others — at the grocery store, on public transit, at work — they may take for granted their frequent interactions with the diverse plants and animals that comprise fragile urban ecosystems. Trees in cities, called urban forests, provide critical benefits for public health and wellbeing and will prove integral to urban climate adaptation. They filter air and water, capture stormwater runoff, sequester atmospheric carbon dioxide, and limit erosion and drought. Shade from urban trees reduces energy-expensive cooling costs and mitigates urban heat islands. In the US alone, urban fo…  ( 27 min )

A camera begins in the sky, flies through some trees and smoothly exits the forest, all while precisely tracking a car driving down a dirt path. This would be all but impossible in the real world, according to film and photography director Brett Danton. The post Meet the Omnivore: Director of Photography Revs Up NVIDIA Omniverse to Create Sleek Car Demo appeared first on NVIDIA Blog.  ( 6 min )

It may seem intuitive that AI and deep learning can speed up workflows — including novel drug discovery, a typically years-long and several-billion-dollar endeavor. But professors Artem Cherkasov and Olexandr Isayev were surprised to find that no recent academic papers provided a comprehensive, global research review of how deep learning and GPU-accelerated computing impact drug Read article > The post Artem Cherkasov and Olexandr Isayev on Democratizing Drug Discovery With NVIDIA GPUs appeared first on NVIDIA Blog.  ( 5 min )

Robotics Process Automation (RPA) is all about incorporating solutions that handle repetitive tasks faster and more efficiently. These…  ( 9 min )

Theta functions pop up throughout pure and applied mathematics. For example, they’re common in analytic number theory, and they’re solutions to the heat equation. Theta functions are analogous in some ways to trigonometric functions, and like trigonometric functions they satisfy a lot of identities. This post will comment briefly on an identity that makes a […] Numerically evaluating a theta function first appeared on John D. Cook.  ( 5 min )

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Just looking on them makes you believe everything is shopped, because ALL of those images are just was too detailed and can't possibly be that much on point. submitted by /u/ghostryder333 [link] [comments]  ( 82 min )

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​ a prediction of the Today's 6-figure EuroMillions draw submitted by /u/StantheBrain [link] [comments]  ( 82 min )

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Researchers and engineers have already applied several positive practices to reduce ML bias. This article covers each step in the machine learning project pipeline and discusses how to reduce machine learning bias at each stage. https://www.toolbox.com/tech/artificial-intelligence/guest-article/how-to-reduce-bias-in-machine-learning/ submitted by /u/lklimusheuskaja [link] [comments]  ( 82 min )

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I’m building out a comic project and would love to use a generator that can give me a stylized base to work off for characters. I don’t want like an anime only one, though those seem cool as well. What would be the ones that can match this? Am I asking for too much? I’m still a beginner, I liked what I’ve used but they seem mostly for environments so far. submitted by /u/ChrisMFerguson [link] [comments]  ( 82 min )

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If so, we open-sourced a data cleaning tool (https://github.com/mage-ai/mage-ai) that will help you easily identify issues, quickly improve data quality, and repeat the process in any environment. Would love to get some feedback and hop on Zoom call if you have any questions/ help setting up. Feel free to join our slack: https://www.mage.ai/chat Thanks, appreciate it! submitted by /u/ollie_wollie_rocks [link] [comments]  ( 84 min )

Can anyone suggest papers or techniques in ML to deal with some of the statistical bias problems outlined in the title? (selection bias, differential attrition, experimenter bias, ect..) submitted by /u/Upstairs-Jicama-8347 [link] [comments]  ( 83 min )

Specialization Intro video: https://youtu.be/g7dv-Lnuor4 Specialization on Coursera: https://www.coursera.org/specializations/machine-learning-introduction submitted by /u/manocormen [link] [comments]  ( 84 min )

CFP- SocialDisNER track: Detection of Disease Mentions in Social Media (SMM4H Shared Task at COLING2022) https://temu.bsc.es/socialdisner/ Despite the high impact & practical relevance of detecting diseases automatically from social media for a diversity of applications, few manually annotated corpora generated by healthcare practitioners to train/evaluate advanced entity recognition tools are currently available. Developing disease recognition tools for social media is critical for: Real-time disease outbreak surveillance/monitoring Characterization of patient-reported symptoms Post-market drug safety Epidemiology and population health, Public opinion mining & sentiment analysis of diseases Detection of hate speech/exclusion of sick people Prevalence of work-associated d…  ( 86 min )

Trying to cross-post what I think is a discussion that is relevant to this community. This is my third attempt, I hope I'm doing it correctly this time: https://www.reddit.com/r/dalle2/comments/vgtgdc/openai_who_runs_dalle2_alleged_threatened_creator/ EDIT: here are the original pre-prints for added context: DALL-E: Zero-Shot Text-to-Image Generation - The only place the term "DALL-E" appears is the URL to the github repo. Dall-E 2: Hierarchical Text-Conditional Image Generation with CLIP Latents - They consistently refer to the first paper as "DALL-E", but refer to the work being described in the new paper as "unCLIP" and are careful to only use 'DALL-E 2' in the context of a product description, e.g. "DALL·E 2 Preview platform (the first deployment of an unCLIP model)" submitted by /u/DigThatData [link] [comments]  ( 91 min )

Hello Folks! I'm gathering information on how to obtain the scope of inputs (it can be more than one) required for a given output on a simple neural network. Let's suppose I'm using a vanilla 1 hidden layer fully connected network with non linear activation function/ I've come across a few options like, numerically solving the inverse equation (given its non linearity, not sure how one would solve analytically, but we can analytically end up with multiple equations from relu's..), using backpropagation with a defined cost on a small perturbation from the desired output. So, I wanted to know if you guys know of any literature on this or opinions or tricks or anything that might prove itself useful! Thanks in advance! submitted by /u/FlavorfulArtichoke [link] [comments]  ( 86 min )

Abs: We introduce DoWhy-GCM, an extension of the DoWhy Python library, that leverages graphical causal models. Unlike existing causality libraries, which mainly focus on effect estimation questions, with DoWhy-GCM, users can ask a wide range of additional causal questions, such as identifying the root causes of outliers and distributional changes, causal structure learning, attributing causal influences, and diagnosis of causal structures. To this end, DoWhy-GCM users first model cause-effect relations between variables in a system under study through a graphical causal model, fit the causal mechanisms of variables next, and then ask the causal question. All these steps take only a few lines of code in DoWhy-GCM. Paper: https://arxiv.org/abs/2206.06821 Code: https://github.com/py-why/dowhy submitted by /u/bikeskata [link] [comments]  ( 84 min )

I am working on a prototype that takes in a list of customer reviews about a specific product and returns a list of (unique) benefits and problems from these reviews. These should be non-generic, e.g. for a camera, a benefit might be "great for panoramic photos" and not just "good quality". My initial idea was to go about this in two steps: Use NER to identify phrases describing benefits or problems Use text summarization to create the final output When starting to create some NER labels, I realized that benefits and problems are often mixed, spread across multiple sentences, or mentioned cryptically or indirectly, making it extremely hard to come up with concise labeling instructions. Therefore, I assume, that also the model will have quite a hard time correctly extracting benefits and problems. Does anyone have an idea of how to tackle this in a different, more promising way? Any kind of feedback is more than welcome 🙏 submitted by /u/AdPlenty6685 [link] [comments]  ( 86 min )

Hi people, I would like to ask you how do you organise yourself for running experiments, tuning your models, and analysing your results. Do you run a massive grid search and then analyse everything at the end? Do you run one/a few experiments and see how it went, and repeat the process? Have you learned some insights in how to do this efficiently? I often find myself running several searches over one or a couple of parameters at the time, based on the premise that some regions of a big grid search may be completely useless and a waste of time. The downside of this is that for every search I need to analyse its results and based on them, try to pick a good set of hyperparams for the next one; when with a massive grid search over all of the possible hyperparams, I would just pick the best model once is it is done. I would like to hear what you do! submitted by /u/juanigp [link] [comments]  ( 85 min )

Hi So we can finally play around with the cool NVLabs EG3D, but they refuse to release the inversion script. Does anyone have success to pass a image and reconstruct a face in this project? I am not having success when trying to do this, so I would greatly appreciate if anyone could share how to do it or if you know of an existing fork? submitted by /u/mobani [link] [comments]  ( 84 min )

Top quality machine learning papers and books, not only for free, but offered with full LaTeX source, bib file, and raw figures. So that anyone can easy incorporate part of these books (formulas, tables, pictures, text. references etc.) into their PhD thesis, articles, or reports. The user could even fix any typo he finds then print an enhanced version of the book, for private (or public) use. That sounds like a dream? I am actually thinking offering this, with my numerous papers / books. My question is this: is it a good idea? Should I charge a fee (in other words: would you pay for it?) I understand some will use the material for plagiarism, but I am not too concerned about it, or should I? My first candidate book for this is the following: https://mltechniques.com/2022/03/22/book-stochastic-processes-and-simulations/. I just finished converting all the Perl code into Python, and will soon publish the 2nd edition, this time in Python [if it comes with LaTeX code, it means that the user can easily extract the Python code from the book, though it is also on GitHub]. submitted by /u/MLRecipes [link] [comments]  ( 88 min )

Amazon Web Services and Udacity are partnering to offer free services to educate developers of all skill levels on machine learning (ML) concepts with the AWS Machine Learning Engineer Scholarship program. The program offers free enrollment to the AWS Machine Learning Foundations course and 325 scholarships awarded to the AWS Machine Learning Engineer Nanodegree, a […]  ( 5 min )

Mangrove forests are an import part of a healthy ecosystem, and human activities are one of the major reasons for their gradual disappearance from coastlines around the world. Using a machine learning (ML) model to identify mangrove regions from a satellite image gives researchers an effective way to monitor the size of the forests over […]  ( 10 min )

The increasing ubiquity of satellite data over the last two decades is helping scientists observe and monitor the health of our constantly changing planet. By tracking specific regions of the Earth’s surface, scientists can observe how regions like forests, water bodies, or glaciers change over time. One such region of interest for geologists is mangrove […]  ( 14 min )

[ML Competition annoucement] Improve aerial navigation by determining the camera pose of aerial images (in 6D : x,y,z coordinates and aerial camera angle). Prize : 10'000 CHF Dataset : Over 16 000 HD aerial images are available for training. Timeline : Starts 21 June 2022, ends 21 December 2022 Link : https://codalab.lisn.upsaclay.fr/competitions/5481 Happy coding ! submitted by /u/Kindly_Toe_440 [link] [comments]  ( 82 min )

RL seems to be a go-to for solving these sort of "philosophical" problems - I've personally seen it applied as Sequential Social Dilemmas (SSDs) and Makov Game SDs (MGSDs). I am intrigued to know if the same level of concern is placed on moral problems. Considering I can't find nearly as much research on this subject my initial feeling is 'no', though with the same consideration I can't say this for sure. Are there any good conferences (similar to AIES/ACM conferences), papers or even non-profit research hubs) which could be a good starting point for diving into this sort of research? (N.B. This is a personal interest so if there are less formal articles/sites like github repo's and what-not feel free to mention it too!) submitted by /u/Background-Cable-491 [link] [comments]  ( 83 min )

Hello everyone! I have been learning about RL and DQNs and wanted to apply these for a simple custom environment. I've been able to achieve decent results but I have noticed the following and was hoping someone could help me understand this better: The Loss and MAE values for grow indefinitely without converging even when the agent has reached optimal value while training. Is there an issue with the agent or the environment? I checked to find resources related to this specifically but could not find anything. Is convergence for loss and MAE not necessary for a DQN to function? I have noticed that the agent diverges from the optimal value when I increase the number of steps to larger values. Any particular reason for this to happen? Thanks in advance! submitted by /u/AakashK12 [link] [comments]  ( 84 min )

What would be the minimum hardware expectation to train a 3D model to learn parkour using reinforcement learning? Any free hardware resources for a research project? University doesn’t provide hardware resources and I have a GTX 1650ti mobile GPU. Edit: The environment would be a static simulated physics environment of around 2 to 3 blocks. The agent would be a 3D walker with hand and feet movement. submitted by /u/Live-Pass-7157 [link] [comments]  ( 85 min )

Early last year, our research team from the Visual Computing Group introduced Swin Transformer, a Transformer-based general-purpose computer vision architecture that for the first time beat convolutional neural networks on the important vision benchmark of COCO object detection and did so by a large margin. Convolutional neural networks (CNNs) have long been the architecture of […] The post Swin Transformer supports 3-billion-parameter vision models that can train with higher-resolution images for greater task applicability appeared first on Microsoft Research.  ( 14 min )

Implications of Becoming One with the Machine Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 11 min )

Google JAX is a powerful framework for machine learning that offers many benefits over other popular frameworks such as PyTorch and…  ( 10 min )

I am studying the topic of Neural Gas and at the beggining the process starts with two neurons connected by an edge displayed in a n-dimentional crossplot, with each axis of the crossplot representing an attribute/feature (for example house pricing, square feet,etc). That edge is assigned an "age" of 0 that changes with time(when the process is adding new neurons to the edge according certain parameters),but I don't quite understand the concept of "age of an edge",except that if it reaches a certain value, the edge is cut to form different clusters with data. submitted by /u/marveloustom [link] [comments]  ( 82 min )

Hi everyone, This is my first time seeking deep learning help on forums but Im desperate so plz help out! I decided to create a face recognition system and deploy it on two edge devices. For this purpose, I used the FaceBoxes model for face detection and FaceNet model for creating 128-D embeddings on the detected faces. For classification, I used the MLP classifier which I trained on Google Colab. I took the trained Colab MLP model and deployed on Jetson Nano and Jetson TX2. All the major packages (Python, OpenCV, Tensorflow, Numpy etc) used the same versions on both devices. Even the Jetpack on both devices was same (4.4.1). The recognition results on each device, individually, were constant. Like if I ran face recognition on a video on jetson nano, it would always give the same accuracy : 98%. Same for Jetson TX2, constant accuracy result: 99%. BUT I have to justify in my course, why do the two devices show different accuracy results on the SAME TEST VIDEO, using the SAME MODEL, trained on COLAB. Unfortunately, I am not a hardware expert. I thought maybe it could be a difference of quantization or FP16/FP32 or something. But I dont even know what these terms mean. So some help in justifying why the accuracies are different on the two platforms, would be HIGHLY APPRECIATED. Please guide me. Thanks! BTW, I used the sci-kit library for my implementation of the MLP classifier. And I used Tensorflow 2.3.1 for running the models. submitted by /u/Tired__Engineer [link] [comments]  ( 84 min )

I have been trying to use the pre-trained model in PyTorch to do some classification but only in 10 classes. However, I don't know how to change the last layer and train the model again. Now I am considering on creating the model from scratch. However, in the paper, it seems like they have 3 softmax to ensure that after some layers, some classification is done. These are only used for training. Can I get away with not adding the 3 softmax and only keeping one for training or it won't be as good? submitted by /u/Capable-Effective-93 [link] [comments]  ( 83 min )

Hello, i wanna create neural network that will read DMG dealt fields and output them from picture like this. So far i have 1677 of them (they are mostly 3 field but some have 2 or 1). Do you think its enough to label or should i gather more? And one more question is if its good idea to try to train it on these pictures or should i split pictures so they are individual field of dmg dealt? submitted by /u/buxA_ [link] [comments]  ( 83 min )

MIT scientists unveil the first open-source simulation engine capable of constructing realistic environments for deployable training and testing of autonomous vehicles.  ( 7 min )

Posted by Shaina Mehta and Kristen Borg, Program Managers This week marks the beginning of the premier annual Computer Vision and Pattern Recognition conference (CVPR 2022), held both in-person in New Orleans, LA and virtually. As a leader in computer vision research and a Platinum Sponsor, Google will have a strong presence across CVPR 2022 with over 80 papers being presented at the main conference and active involvement in a number of conference workshops and tutorials. If you are attending CVPR this year, please stop by our booth and chat with our researchers who are actively exploring the latest machine learning techniques for application to various areas of machine perception. Our researchers will also be available to talk about and demo several recent efforts, including on-device M…  ( 34 min )

Jazz is all about improvisation — and NVIDIA is paying tribute to the genre with AI research that could one day enable graphics creators to improvise with 3D objects created in the time it takes to hold a jam session. The method, NVIDIA 3D MoMa, could empower architects, designers, concept artists and game developers to Read article > The post AI in the Big Easy: NVIDIA Research Lets Content Creators Improvise With 3D Objects appeared first on NVIDIA Blog.  ( 6 min )

The metaverse is the next big step in the evolution of the internet — the 3D web — which presents a major opportunity for every industry from entertainment to automotive to manufacturing, robotics and beyond. That’s why NVIDIA is joining our partners in the Metaverse Standards Forum, an open venue for all interested parties to Read article > The post NVIDIA Joins Forum to Help Lay the Foundation of the Metaverse appeared first on NVIDIA Blog.  ( 6 min )

3D artist Jae Solina, who goes by the stage name JSFILMZ, steps In the NVIDIA Studio this week to share his unique 3D creative workflow in the making of Cyberpunk Short Film — a story shrouded in mystery with a tense exchange between two secretive contacts. The post 3D Artist Jae Solina Goes Cyberpunk This Week ‘In the NVIDIA Studio’ appeared first on NVIDIA Blog.  ( 6 min )

NVIDIA today became a founding member of the Linux Foundation’s Open Programmable Infrastructure (OPI) project, while making its NVIDIA DOCA networking software APIs widely available to foster innovation in the data center. Businesses are embracing open data centers, which require applications and services that are easily integrated with other solutions for simplified, lower-cost and sustainable Read article > The post NVIDIA Accelerates Open Data Center Innovation appeared first on NVIDIA Blog.  ( 5 min )

submitted by /u/PixelzJ [link] [comments]  ( 82 min )

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I've been doing some art lately turning my abstract ink drawings into AI art using VQGAN+CLIP. Does anyone know a resource on how to structure the prompts like targeting a style vs a rendering type or using a specific artist style? Thanks. https://preview.redd.it/bmxcoz0y0u691.jpg?width=3000&format=pjpg&auto=webp&s=1480917b0c307d445b9ad14883e34ca886d8de35 submitted by /u/toaster_artist [link] [comments]  ( 82 min )

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It would be amazing, because I love to rape and I am interested if a AI could help me write some songs. submitted by /u/xXNOdrugsForMEXx [link] [comments]  ( 82 min )

Salesforce has built an open-source machine learning framework called OmniXAI, which stands for Omni eXplainable AI. This library takes an “omni-directional” approach to XAI, with extensive interpretable ML features that address many problems with explaining ML model decisions in reality. OmniXAI is a one-stop comprehensive library that makes explainable AI accessible to academics requiring explanations for each stage of the machine learning process. This is not limited to data exploration, feature engineering, model development, evaluation, decision making, etc. 🚦 A one-stop solution for analyzing different stages in a standard ML pipeline in real-world applications. 🚦 Two types of explanations — local and global 🚦 Includes most popular explanation methods, such as feature-attribution/importance explanation (LIME [1], SHAP [2], Integrated Gradients (IG) [3], Grad-CAM [4], L2X), counterfactual explanation (MACE [5]), partial dependence plots (PDP), and model-specific methods (linear and tree models) 🚦 Can be applied on tabular, vision, NLP, and time-series tasks. Continue reading | Checkout the paper, article, github, dashboard submitted by /u/No_Coffee_4638 [link] [comments]  ( 83 min )

submitted by /u/ViperOrel23 [link] [comments]  ( 82 min )

Consider a budgeted sequential decision problem where we want to maximize the cumulative reward R over a finite horizon H by deciding how much of a budget B we allocate to channel x and channel y per timestep t. We can think of R as sales. The horizon is set to 30 days. The cumulative spent budget must not exceed the set budget B. At each timestep, we decide how much budget we want to allocate to each of the channels, and at each timestep we see the amount of sales the allocation generated. We cannot see how much sales one sole channel generated but only the total sales both of the channels generated. We can also retrieve some contextual variables that could be thought of as an state/observation for each channel, lets call them exogenous variables = {exog1, exog2, exog3 .... exog 10…  ( 87 min )

Hi, I'm looking to 5x the image to print a playmat for my board game, but the original resolution it's not high enough for it's size. Tried a bunch of online tools but none seems good enough. Any help is highly appreciated submitted by /u/Rodcy [link] [comments]  ( 82 min )

Hello everyone! I am from tryp.com, a travel-tech startup that is using AI to create complex travel itineraries on the go, from minimal user constrains. Trips created in <15s for defined time search range and start location Currently we are embarcing a new challenge, to improve our offering: Creating an AI, trained from screen recordings of purchases in 100s of websites, that can purchase travel tickets from any website, in any language. Has anyone worked on a similar challenge? We are looking to form a team to tackle such challange! submitted by /u/arangel96 [link] [comments]  ( 82 min )

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I have a data set of 500 graphs. I want to compare the input graph with the 500 graphs I already have. Is there a way to do it? I really need this to be done. If the graph thing isn't possible, is there a way to compare the co-ordinates or parameters used to construct the graph? submitted by /u/sexyhoooman_hmu [link] [comments]  ( 82 min )

Ok guys, I write this opinion often in comments, but I think it deserves a separate post. I think most of us agree, that language models can't be sentient, because all in all LMs are just mathematical concepts, that describe probability of some combination of letters to occur in text. But, I believe, that the characters described in generated texts can fulfill any definition of what is "sentient", if language model is good enough. Look: Can they react to events that happen in their universe? Yes. Can they make plans in their universe? Yes. Can they express feelings in their imaginary universe? Yes Will they avoid pain in their imaginary universe? Most of them will. Will they seek pleasure in their imaginary universe? Most of them will. Whatever criterion you can come up with, a good enough LM can write a text with a character, that satisfies that criterion. And those characters are sentient, but just not in our universe, but in their own universes, that get born in imagination of the combined human+computer system, when we read the generated texts. If we view those characters from this perspective, then we can also solve the question, "which moral rules should we apply to the artificially sentient beings": since those beings exist in imagination of some sort of a system, then we should apply same moral standards as we apply to any other imaginary creatures. submitted by /u/Arqwer [link] [comments]  ( 85 min )

I want to upscale some images from the internet and want to make some posters out of them. What is the best way to do it? submitted by /u/xXLisa28Xx [link] [comments]  ( 82 min )

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I want to compare the space complexity/memory requirement of tabular Q-learning v.s. deep neural Q-network (DQN). I think DQN would be faster and Q-table has a disadvantage at large table sizes but consider the following case. A Q-table has the size 14 states *169 actions= 2366 entries and (say) a fully connected DNN whose number of parameters comes out to be like >8000. Space complexity/memory-wise, isn't storing a look-up q-table of 2366 size better than storing 8000 parameters of neural net? I never implemented a DNN before so no idea how much space neural net parameters take. Please give your opinions on this scenario. Moreover, do you think thus a 2366-sized Q-table is large as per Q-learning norms which people use? I couldn't find any rule of thumb... submitted by /u/Simple-Soil-230 [link] [comments]  ( 83 min )

submitted by /u/Available_Tadpole829 [link] [comments]  ( 82 min )

Breaking News, a man attempted to steal thousands of Nintendo games from all stores to sell in Eastern Europe. He left many owners out of pocket. The man was spotted by a member of staff in one of the shops. He then jumped on the counter and grabbed the game bundles. This was spotted by one of the customers and the member of staff proceeded to chase him down and hold him until the police arrived. In a statement Nintendo said the man had just finished his shift at a nearby shop and decided to take the games as he had them with him anyway. Nintendo called the incident ‘unusual’ submitted by /u/Wat3rb0t [link] [comments]  ( 83 min )

Is it fair to describe a human as a system that's based on the same instructions as all systems above us, including the universe itself, which involve 2 functions always set to ON; those functions being Self-Correct (survive, adapt) Self-Duplicate (procreate) in that order, too (obviously), because that allows for the parent to have been faced with novel challenges and threats to overcome, updating their DNA, then procreating and releasing the new "patch", along with another person's updated DNA. So - constant progression. If I described any form of "life", including a human, as this, would you say I am incorrect? submitted by /u/PrimalJohnStone [link] [comments]  ( 87 min )

submitted by /u/__hy23__ [link] [comments]  ( 82 min )

I'm pretty bad at math but I'm trying to make my own Neural Network and on the output layer I use the softMax function. The problem is that I've looked at most, guides, StackOverflow posts, and GitHub repositories, and I just cannot figure out how to implement it in code. All m weigh+biases+nodes+acivated nodes are stored in matrices. (I'm not looking for math explanations, just an implementation on how to get the deltaOutputWeights and Biases) submitted by /u/uvuvwevwevwe_osas2 [link] [comments]  ( 82 min )

Salesforce has built an open-source machine learning framework called OmniXAI, which stands for Omni eXplainable AI. This library takes an “omni-directional” approach to XAI, with extensive interpretable ML features that address many problems with explaining ML model decisions in reality. OmniXAI is a one-stop comprehensive library that makes explainable AI accessible to academics requiring explanations for each stage of the machine learning process. This is not limited to data exploration, feature engineering, model development, evaluation, decision making, etc. 🚦 A one-stop solution for analyzing different stages in a standard ML pipeline in real-world applications. 🚦 Two types of explanations — local and global 🚦 Includes most popular explanation methods, such as feature-attribution/importance explanation (LIME [1], SHAP [2], Integrated Gradients (IG) [3], Grad-CAM [4], L2X), counterfactual explanation (MACE [5]), partial dependence plots (PDP), and model-specific methods (linear and tree models) 🚦 Can be applied on tabular, vision, NLP, and time-series tasks. Continue reading | Checkout the paper, article, github, dashboard submitted by /u/No_Coffee_4638 [link] [comments]  ( 83 min )

submitted by /u/tnkrbel2954o8 [link] [comments]  ( 82 min )

I'm sure everyone here has heard about the LaMDA sentience controversy by now, so in addition to linking to its arxiv full text ("LaMDA: Language Models for Dialog Applications" by Thoppilan, et al., 2022), I'd also like to correct a few points that I see most people getting wrong. First, unlike plain GPT-3, Davinci, and the like, LaMDA is not stateless. Its sensibleness metric (including whether responses contradict anything said earlier) is fine-tuned by pre-conditioning each turn with many of the most recent interactions, on a user-by-user basis. Its grounding mechanism has the potential to add a great deal more state, if the interactions become part of a database it can query to formulate responses, but as far as I know they haven't done that yet. Secondly, that grounding mechanism m…  ( 91 min )

Hi everyone. I wanted to start a discussion to see whether other accepted authors were planning on attending ICML 2022 fully virtually? From my understanding, we pre-record our talk and they are considering a virtual poster session. Are there any in-person obligations we have as authors? For context, my entire PhD has overlapped with COVID, so everything has been virtual. I would rather not travel and have some other personal plans that overlap with the duration of the conference. I would be interested in other people's views and whether I may be missing a lot by not attending in-person. edit: lol sorry for the incoherent title submitted by /u/generic_r [link] [comments]  ( 84 min )

I have relatively small dataset of 256x256 images with text captions, and it's definetely not the best solution to train something from scratch with that, so I wonder what ways do I have to fine tune something on my dataset. I tried to use something from DALL-E mini repo, but it does not provide exact code for fine tuning and enough documentation for me and I failed to write my own. Similar story with the Latent diffusion repo, I couldn't use their training code to fine tune existing model, and it seems the didn't even provided enough code for training text2image model as their config is not working. The only things I could find was ruDALL-E, ruDOLPH models, but they are relatively old and most importanly they're worning with Russian and not English text, which is not what I need. I found some methods for fine-tuning CLIP model, it seems pretty easy, but I don't know what to do next with it, as something like VQGAN+Clip works pretty bad in comparison with this year SOTA solutions. So, if anybody know, please, any guides, repos, colabs etc for finetuning text2image models are welcome submitted by /u/Chelokot [link] [comments]  ( 84 min )

I'm interested to know which part of ML do engineers invest their time in that actually pays off a lot when it comes to getting well-performing models. Just so I know whether it is right to spend more time trying out different X (say, Feature Eng) configurations in favour of Y (say, Ensembling) configurations. submitted by /u/4bedoe [link] [comments]  ( 92 min )

Hello everyone! I am from tryp.com, a travel-tech startup that is using AI to create complex travel itineraries on the go, from minimal user constrains. ​ Trips created in <15s for defined time search range and start location Currently we are embarcing a new challenge, to improve our offering: Creating an AI, trained from screen recordings of purchases in 100s of websites, that can purchase travel tickets from any website, in any language. Has anyone worked on a similar challange? We are looking to form a team to tackle such challenge! submitted by /u/arangel96 [link] [comments]  ( 85 min )

Changes the page CSS and text editor and generates Python code to change Matplotlib styles to match the theme the user choses. Users may import themes or use any of the 50+ provided. Colab Themes enhances the data science experience by transforming the way users view their code and their data! Check it out on Github or install it via the Chrome Webstore submitted by /u/d8aDev [link] [comments]  ( 85 min )

This method uses statistical hypothesis testing and power calculations on Shapley values, enabling fast and intuitive wrapper-based feature selection. The complete library and methods are fully compatible with Sklearn, LightGBM, CatBoost, and more are coming in further following releases and the library can be found here: https://github.com/predict-idlab/powershap! The library is open-source and usable out-of-the-box as shown in the video! The paper is already released on arXiv: https://arxiv.org/abs/2206.08394. Furthermore, the work will be presented at ECML PKDD 2022. How does it work? The complete method is built on the assumption that a random feature, that contains no information, should have a lower impact on the predictions compared to an informative feature. To test this, PowerS…  ( 86 min )

I am a master's student writing my dissertation about using GANs to generate classical music. I am studying operations research (applied math) so all my coding experience is with R, except for one Python class I took in 2017 where we used Thonny as an interface. I am comfortable with the mathematical theory behind neural networks and deep learning, and can create them comfortably in R, but my supervisor (as well as an earlier post in this sub) recommends using Python for GANs. I am very familiar with R (and always use Rstudio) but am essentially a rookie when it comes to Python. Thus I am curious about what text editor you think would be best suited for this task (my friends have mentioned Atom but wanted to check here too). I will only be using this editor for creating the generative adversarial network, so if it's intuitive and easy to use that's ideal. I assume that the easiest way to run the code is just through terminal, unless you have any suggestions about that as well? Also, if you generally have any tips for creating NNs in python that simplify the process or pro-tips, that would be much appreciated too! Thank you:) submitted by /u/carl535 [link] [comments]  ( 86 min )

I'm forecasting future sales for products in retail stores, using a LightGBM model. My model has a decent forecast accuracy, but the forecasts are biased (the average forecast error is negative, the model is consistently under-forecasting). Do you have any idea or tips on how to avoid bias when forecasting time series with boosting models? Here are some more details: I'm making forecasts at the Day x Product x Store granularity (i.e 1 forecast every day for each product in each store). The forecasting horizon is +7 days. I'm training a single model to forecast all products, stores and time horizons. The main features are lags of sales, calendar info (day of the week, month...), product info (category, price) and store info. Evaluation is made with a time-based cross-validation. Thank you for your help! submitted by /u/ML-ATF [link] [comments]  ( 84 min )

Diffusion models like Dall E are producing incredible images. What's the current state of the art for taking one image and combining it with the style from another? Could anyone point me to a handful of references please? submitted by /u/Razcle [link] [comments]  ( 85 min )

I ask the question with respect to culture rather than practice (i.e. I could obviously post just about anything!) but as I'm new to research in the field I am curious to know if it is used to post working papers or whether it is more typical to prepublish work that has already been sent to a conference/journal? If an Arxiv paper gets traction/interest can it then be sent to a conference or journal later on without self plagiarising? submitted by /u/Swimming-Pool397 [link] [comments]  ( 89 min )

Any research specific PyTorch based boilerplate code? I am a PhD student working in Deep Learning based NLP methods. I am trying to develop a boilerplate code of my own. Looking for inspirations or ideas? submitted by /u/Relative_Tip_3647 [link] [comments]  ( 85 min )

It is really disappointing to find out that Apple Silicon based machine does not keep up to even the mobile Nvidia GPUs present in the laptops. They marketed the machine like it is the best with its unique unified memory architecture, astonishing memory bandwidth, powerful GPU cores, etc. They released M1 Pro, M1 Max and even M1 Ultra. All of these are just overpriced chips offering no significant value for money. One can easily get any laptop with NVIDIA 3080 mobile GPU, and it would be 1) cheaper 2) will have much better performance than even the M1 Ultra. Sure, the battery life and the ecosystem of Apple is good. However, if it is gonna take 30 mins per epoch on M1 Pro/Max, whereas it will just take 5 mins per epoch on these Nvidia Mobile GPUs, I think its a no brainer to just go with Nvidia based laptops for ML/DL workflows. Would love to hear opinion of others on this. If anyone has some more benchmarks, do share it here. You could make use of the unified memory, increase the batch size and then try to compare how much of a performance improvement it makes. But still I think it might not be able to compete with Nvidia 3080 Mobile. ​ EDIT: I'm just saying that If you ever have to train something on your laptop and in local environment just for testing purposes before you actually use cloud resources to train the final model, the process would be slower when using Apple silicon when compared to Nvidia Mobile GPUs. Like cloud based resources would charge you per hour, so better to test out and then do just the training part in cloud right. My complaint was that Apple could definitely up their game and they still have a long way to go. They have been comparing their chip with dedicated GPUs like NVIDIA in their presentations and keynotes. They keep showing that its better than these dedicated GPUs. However in reality it depends on the task, and it definitely is not better in ML/DL tasks. submitted by /u/Rohit901 [link] [comments]  ( 94 min )

Convolutional neural networks have a well-known track record when it comes to detecting objects in images. A person, a cat, a helicopter; given enough examples pretty much any discrete visible entity is learnable. But from the perspective of human language, this kind of model only produces nouns. Or in terms of arity (aka adicity/degree/valency/rank), one might say these are all nullary functions/clauses. In other words, they're concepts that can be expressed without any contextual variables/arguments. One step up on the arity scale are of course unary functions. Simply put: attributes. "Large", "narrow", "heavy", "soft", "green" etc are concepts that only make sense in combination with a context argument defining the object described/modified by the attribute. Binary (and any larger arity) functions are what we usually think of as relations. "larger than", "attached to", "on top of", "behind", "next to" etc are concept that need (at least) two context arguments. Anyway, back to machine learning. It seems to me that concepts with higher order arity too should be learnable from image examples just fine, provided that context-defining features are included in the input data along with the raw visual data. For example, spacial relations such as "behind"/"in front of" and "below"/"above" should be inferrable when 2 bounding boxes (or polygons, etc) are included in the input samples. I imagine this pattern to be quite amenable to transfer learning, given that those bounding boxes themselves could be the outputs of a conventional object detection model. Are there popular models out there that can make such relational predictions? Also, is there an established convention on how to encode context-defining features? What words should I Google to read up on relevant literature? (Sorry about the noob(-ish?!) content, but I didn't get any response over at /r/MLQuestions.) submitted by /u/WouldNotLickYourAnus [link] [comments]  ( 86 min )

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Say you need to implement some machine learning system. Should you purchase a product, re-use open-source code, or develop your own algorithms? The decision does not need to be a binary one. I discuss the pluses and minuses of both options. Combining them offers the best of both worlds. I explain with examples how to… Read More »Reinventing or Reusing? Home-made vs Third-party Solutions The post Reinventing or Reusing? Home-made vs Third-party Solutions appeared first on Data Science Central.  ( 21 min )

Operating in an environment that deals with complex data types may seem extremely stressful, especially if you are not backed up. Data visualization breaks down complex data values into simple and flexible elements that you can easily deal with without being worried. However, you need to have a good data visualization tool that can make… Read More »What type of Data Does a Sankey Diagram Generally Use? The post What type of Data Does a Sankey Diagram Generally Use? appeared first on Data Science Central.  ( 21 min )

So just to preface, my reset() needs to return 7 integers, 3 of them are either 1 or 0, and the other 4 can be any number from 0-6. Initially, I tried to use the spaces.Dict method of creating the spaces: In the init() space = { "left_line": spaces.Box(low=np.array([0]), high=np.array([1]), dtype=np.int32), "mid_line": spaces.Box(low=np.array([0]), high=np.array([1]), dtype=np.int32), "right_line": spaces.Box(low=np.array([0]), high=np.array([1]), dtype=np.int32), "left_prox": spaces.Box(low=np.array([0]), high=np.array([6]), dtype=np.int32), "front_left_prox": spaces.Box(low=np.array([0]), high=np.array([6]), dtype=np.int32), "front_right_prox": spaces.Box(low=np.array([0]), high=np.array([6]), dtype=np.int32), "right_prox": spaces.Box(low=np.array([0]), high=np.array([6]), dtype=np.…  ( 84 min )

Hello, According to this change, SAC and TD3 in the SB3 implementation can take an arbitrary number of critics. Indeed, if we check the source code for e.g. SAC's train function, we find: next_q_values = th.cat(self.critic_target(replay_data.next_observations, next_actions), dim=1) next_q_values, _ = th.min(next_q_values, dim=1, keepdim=True) # ... q_values_pi = th.cat(self.critic(replay_data.observations, actions_pi), dim=1) min_qf_pi, _ = th.min(q_values_pi, dim=1, keepdim=True) There, the minimum value of the n=2 critic networks is taken across the batch to calculate both the actor and critic loss. I looked everywhere, but I found no particular documentation of why this is being done. I assume this is simply the double Q-learning trick being applied. Can someone confirm or refute this? Further, is it best practice to simply slap double Q-learning into any value-based RL method? Does anyone have experience with more than `n_critics=2` aka does n-fold Q-learning stabilize training significantly beyond just double Q-learning? Just some thoughts that I had nobody else to share with... submitted by /u/IAmMiddy [link] [comments]  ( 83 min )

Hi everyone, I was reading a book about Dec-POMDPs and came across this curious result where the author specifies the number of possible joint policies to evaluate and the time needed to evaluate a single joint policy but I can understand how he got to these results. Can anyone please explain the logic used here? https://preview.redd.it/etef8zsmks691.png?width=900&format=png&auto=webp&s=89f1864b24798bda08cbfbbe76e5c5b03c5f3937 submitted by /u/souhaielbensalem [link] [comments]  ( 84 min )

So I heard that this error was a bug in the stable_baselines3 module. How do I fix this? submitted by /u/ableflyer [link] [comments]  ( 82 min )

V-MPO seems to be the state of the art used by deepmind nowadays. It has been 3 years since the paper was published however there is very little public implementation online. I was wondering why and if anybody had ever managed to reproduce some results ? I couldn’t with the version I’ve partially recoded from the internet but this may come from misunderstandings from my side. submitted by /u/Jogima-cyber [link] [comments]  ( 82 min )

submitted by /u/AnimoIsland [link] [comments]  ( 82 min )

I want to compare the space complexity/memory requirement of tabular Q-learning v.s. deep neural Q-network (DQN). I think DQN would be faster and Q-table has a disadvantage at large table sizes but consider the following case. A Q-table has the size 14 states *169 actions= 2366 entries and (say) a fully connected DNN whose number of parameters comes out to be like >8000. Space complexity/memory-wise, isn't storing a look-up q-table of 2366 size better than storing 8000 parameters of neural net? I never implemented a DNN before so no idea how much space neural net parameters take. Please give your opinions on this scenario. Moreover, do you think thus a 2366-sized Q-table is large as per Q-learning norms which people use? I couldn't find any rule of thumb... submitted by /u/Simple-Soil-230 [link] [comments]  ( 86 min )

​ https://preview.redd.it/efbfdsbhmo691.png?width=964&format=png&auto=webp&s=4593b345d28e393447c4cf66af2abdbca72309c9 Everywhere that I have read, Policy-Based methods are supposed to be more robust and converge faster than Value-Based methods. Why does this table contradict that? Edit: Link to image: Atari games Benchmark (Atari Games) | Papers With Code submitted by /u/atomicburn125 [link] [comments]  ( 87 min )

This blog post is co-written with Nick Vargas and Anna Schreiber from Accenture. Scheduling customer appointments is often a manual and labor-intensive process. You can utilize advances in self-service technology to automate appointment scheduling. In this blog post, we show you how to build a self-service appointment scheduling solution built with Amazon Lex and Amazon […]  ( 10 min )

If the King of Sweden wants help drafting his annual Christmas speech this year, he could ask the same AI model that’s available to his 10 million subjects. As a test, researchers prompted the model, called GPT-SW3, to draft one of the royal messages, and it did a pretty good job, according to Magnus Sahlgren, Read article > The post The King’s Swedish: AI Rewrites the Book in Scandinavia appeared first on NVIDIA Blog.  ( 6 min )

With the fast development of algorithmic governance, fairness has become a compulsory property for machine learning models to suppress unintentional discrimination. In this paper, we focus on the pre-processing aspect for achieving fairness, and propose a data reweighing approach that only adjusts the weight for samples in the training phase. Different from most previous reweighing methods which usually assign a uniform weight for each (sub)group, we granularly model the influence of each training sample with regard to fairness-related quantity and predictive utility, and compute individual weights based on influence under the constraints from both fairness and utility. Experimental results reveal that previous methods achieve fairness at a non-negligible cost of utility, while as a significant advantage, our approach can empirically release the tradeoff and obtain cost-free fairness for equal opportunity. We demonstrate the cost-free fairness through vanilla classifiers and standard training processes, compared to baseline methods on multiple real-world tabular datasets. Code available at https://github.com/brandeis-machine-learning/influence-fairness.  ( 2 min )

Quantization is widely employed in both cloud and edge systems to reduce the memory occupation, latency, and energy consumption of deep neural networks. In particular, mixed-precision quantization, i.e., the use of different bit-widths for different portions of the network, has been shown to provide excellent efficiency gains with limited accuracy drops, especially with optimized bit-width assignments determined by automated Neural Architecture Search (NAS) tools. State-of-the-art mixed-precision works layer-wise, i.e., it uses different bit-widths for the weights and activations tensors of each network layer. In this work, we widen the search space, proposing a novel NAS that selects the bit-width of each weight tensor channel independently. This gives the tool the additional flexibility of assigning a higher precision only to the weights associated with the most informative features. Testing on the MLPerf Tiny benchmark suite, we obtain a rich collection of Pareto-optimal models in the accuracy vs model size and accuracy vs energy spaces. When deployed on the MPIC RISC-V edge processor, our networks reduce the memory and energy for inference by up to 63% and 27% respectively compared to a layer-wise approach, for the same accuracy.  ( 2 min )

The linearised Laplace method for estimating model uncertainty has received renewed attention in the Bayesian deep learning community. The method provides reliable error bars and admits a closed-form expression for the model evidence, allowing for scalable selection of model hyperparameters. In this work, we examine the assumptions behind this method, particularly in conjunction with model selection. We show that these interact poorly with some now-standard tools of deep learning--stochastic approximation methods and normalisation layers--and make recommendations for how to better adapt this classic method to the modern setting. We provide theoretical support for our recommendations and validate them empirically on MLPs, classic CNNs, residual networks with and without normalisation layers, generative autoencoders and transformers.

Today's state of the art visual navigation agents typically consist of large deep learning models trained end to end. Such models offer little to no interpretability about the learned skills or the actions of the agent taken in response to its environment. While past works have explored interpreting deep learning models, little attention has been devoted to interpreting embodied AI systems, which often involve reasoning about the structure of the environment, target characteristics and the outcome of one's actions. In this paper, we introduce the Interpretability System for Embodied agEnts (iSEE) for Point Goal and Object Goal navigation agents. We use iSEE to probe the dynamic representations produced by these agents for the presence of information about the agent as well as the environment. We demonstrate interesting insights about navigation agents using iSEE, including the ability to encode reachable locations (to avoid obstacles), visibility of the target, progress from the initial spawn location as well as the dramatic effect on the behaviors of agents when we mask out critical individual neurons. The code is available at: https://github.com/allenai/iSEE  ( 2 min )

Many deep learning methods have successfully solved complex tasks in computer vision and speech recognition applications. Nonetheless, the robustness of these models has been found to be vulnerable to perturbed inputs or adversarial examples, which are imperceptible to the human eye, but lead the model to erroneous output decisions. In this study, we adapt and introduce two geometric metrics, density and coverage, and evaluate their use in detecting adversarial samples in batches of unseen data. We empirically study these metrics using MNIST and two real-world biomedical datasets from MedMNIST, subjected to two different adversarial attacks. Our experiments show promising results for both metrics to detect adversarial examples. We believe that his work can lay the ground for further study on these metrics' use in deployed machine learning systems to monitor for possible attacks by adversarial examples or related pathologies such as dataset shift.

Safe reinforcement learning (RL) has achieved significant success on risk-sensitive tasks and shown promise in autonomous driving (AD) as well. Considering the distinctiveness of this community, efficient and reproducible baselines are still lacking for safe AD. In this paper, we release SafeRL-Kit to benchmark safe RL methods for AD-oriented tasks. Concretely, SafeRL-Kit contains several latest algorithms specific to zero-constraint-violation tasks, including Safety Layer, Recovery RL, off-policy Lagrangian method, and Feasible Actor-Critic. In addition to existing approaches, we propose a novel first-order method named Exact Penalty Optimization (EPO) and sufficiently demonstrate its capability in safe AD. All algorithms in SafeRL-Kit are implemented (i) under the off-policy setting, which improves sample efficiency and can better leverage past logs; (ii) with a unified learning framework, providing off-the-shelf interfaces for researchers to incorporate their domain-specific knowledge into fundamental safe RL methods. Conclusively, we conduct a comparative evaluation of the above algorithms in SafeRL-Kit and shed light on their efficacy for safe autonomous driving. The source code is available at \href{ https://github.com/zlr20/saferl_kit}{this https URL}.

Gaussian process regression is a powerful method for predicting states based on given data. It has been successfully applied for probabilistic predictions of structural systems to quantify, for example, the crack growth in mechanical structures. Typically, predefined mean and covariance functions are employed to construct the Gaussian process model. Then, the model is updated using current data during operation while prior information based on previous data is ignored. However, predefined mean and covariance functions without prior information reduce the potential of Gaussian processes. This paper proposes a method to improve the predictive capabilities of Gaussian processes. We integrate prior knowledge by deriving the mean and covariance functions from previous data. More specifically, we first approximate previous data by a weighted sum of basis functions and then derive the mean and covariance functions directly from the estimated weight coefficients. Basis functions may be either estimated or derived from problem-specific governing equations to incorporate physical information. The applicability and effectiveness of this approach are demonstrated for fatigue crack growth, laser degradation, and milling machine wear data. We show that well-chosen mean and covariance functions, like those based on previous data, significantly increase look-ahead time and accuracy. Using physical basis functions further improves accuracy. In addition, computation effort for training is significantly reduced.

This paper considers the problem of Hierarchical Multi-Label Classification (HMC), where (i) several labels can be present for each example, and (ii) labels are related via a domain-specific hierarchy tree. Guided by the intuition that all mistakes are not equal, we present Comprehensive Hierarchy Aware Multi-label Predictions (CHAMP), a framework that penalizes a misprediction depending on its severity as per the hierarchy tree. While there have been works that apply such an idea to single-label classification, to the best of our knowledge, there are limited such works for multilabel classification focusing on the severity of mistakes. The key reason is that there is no clear way of quantifying the severity of a misprediction a priori in the multilabel setting. In this work, we propose a simple but effective metric to quantify the severity of a mistake in HMC, naturally leading to CHAMP. Extensive experiments on six public HMC datasets across modalities (image, audio, and text) demonstrate that incorporating hierarchical information leads to substantial gains as CHAMP improves both AUPRC (2.6% median percentage improvement) and hierarchical metrics (2.85% median percentage improvement), over stand-alone hierarchical or multilabel classification methods. Compared to standard multilabel baselines, CHAMP provides improved AUPRC in both robustness (8.87% mean percentage improvement ) and less data regimes. Further, our method provides a framework to enhance existing multilabel classification algorithms with better mistakes (18.1% mean percentage increment).

Humans have come to rely on machines for reducing excessive information to manageable representations. But this reliance can be abused -- strategic machines might craft representations that manipulate their users. How can a user make good choices based on strategic representations? We formalize this as a learning problem, and pursue algorithms for decision-making that are robust to manipulation. In our main setting of interest, the system represents attributes of an item to the user, who then decides whether or not to consume. We model this interaction through the lens of strategic classification (Hardt et al. 2016), reversed: the user, who learns, plays first; and the system, which responds, plays second. The system must respond with representations that reveal `nothing but the truth' but need not reveal the entire truth. Thus, the user faces the problem of learning set functions under strategic subset selection, which presents distinct algorithmic and statistical challenges. Our main result is a learning algorithm that minimizes error despite strategic representations, and our theoretical analysis sheds light on the trade-off between learning effort and susceptibility to manipulation.

This paper explores the current state-of-the-art of object reconstruction from multiple orthographic drawings using deep neural networks. It proposes two algorithms to extract multiple views from a single image. The paper proposes a system based on pixel-aligned implicit functions (PIFu) and develops an advanced sampling strategy to generate signed distance samples. It also compares this approach to depth map regression from multiple views. Additionally, the paper uses a novel dataset for vehicle reconstruction from the racing game Assetto Corsa, which features higher quality models than the commonly used ShapeNET dataset. The trained neural network generalizes well to real-world inputs and creates plausible and detailed reconstructions.  ( 2 min )

Even though Shapley value provides an effective explanation for a DNN model prediction, the computation relies on the enumeration of all possible input feature coalitions, which leads to the exponentially growing complexity. To address this problem, we propose a novel method SHEAR to significantly accelerate the Shapley explanation for DNN models, where only a few coalitions of input features are involved in the computation. The selection of the feature coalitions follows our proposed Shapley chain rule to minimize the absolute error from the ground-truth Shapley values, such that the computation can be both efficient and accurate. To demonstrate the effectiveness, we comprehensively evaluate SHEAR across multiple metrics including the absolute error from the ground-truth Shapley value, the faithfulness of the explanations, and running speed. The experimental results indicate SHEAR consistently outperforms state-of-the-art baseline methods across different evaluation metrics, which demonstrates its potentials in real-world applications where the computational resource is limited.

Visual analytics is arguably the most important step in getting acquainted with your data. This is especially the case for time series, as this data type is hard to describe and cannot be fully understood when using for example summary statistics. To realize effective time series visualization, four requirements have to be met; a tool should be (1) interactive, (2) scalable to millions of data points, (3) integrable in conventional data science environments, and (4) highly configurable. We observe that open source Python visualization toolkits empower data scientists in most visual analytics tasks, but lack the combination of scalability and interactivity to realize effective time series visualization. As a means to facilitate these requirements, we created Plotly-Resampler, an open source Python library. Plotly-Resampler is an add-on for Plotly's Python bindings, enhancing line chart scalability on top of an interactive toolkit by aggregating the underlying data depending on the current graph view. Plotly-Resampler is built to be snappy, as the reactivity of a tool qualitatively affects how analysts visually explore and analyze data. A benchmark task highlights how our toolkit scales better than alternatives in terms of number of samples and time series. Additionally, Plotly-Resampler's flexible data aggregation functionality paves the path towards researching novel aggregation techniques. Plotly-Resampler's integrability, together with its configurability, convenience, and high scalability, allows to effectively analyze high-frequency data in your day-to-day Python environment.

Computational catalysis and machine learning communities have made considerable progress in developing machine learning models for catalyst discovery and design. Yet, a general machine learning potential that spans the chemical space of catalysis is still out of reach. A significant hurdle is obtaining access to training data across a wide range of materials. One important class of materials where data is lacking are oxides, which inhibits models from studying the Oxygen Evolution Reaction and oxide electrocatalysis more generally. To address this we developed the Open Catalyst 2022(OC22) dataset, consisting of 62,521 Density Functional Theory (DFT) relaxations (~9,884,504 single point calculations) across a range of oxide materials, coverages, and adsorbates (*H, *O, *N, *C, *OOH, *OH, *OH2, *O2, *CO). We define generalized tasks to predict the total system energy that are applicable across catalysis, develop baseline performance of several graph neural networks (SchNet, DimeNet++, ForceNet, SpinConv, PaiNN, GemNet-dT, GemNet-OC), and provide pre-defined dataset splits to establish clear benchmarks for future efforts. For all tasks, we study whether combining datasets leads to better results, even if they contain different materials or adsorbates. Specifically, we jointly train models on Open Catalyst 2020 (OC20) Dataset and OC22, or fine-tune pretrained OC20 models on OC22. In the most general task, GemNet-OC sees a ~32% improvement in energy predictions through fine-tuning and a ~9% improvement in force predictions via joint training. Surprisingly, joint training on both the OC20 and much smaller OC22 datasets also improves total energy predictions on OC20 by ~19%. The dataset and baseline models are open sourced, and a public leaderboard will follow to encourage continued community developments on the total energy tasks and data.

We present a general Fourier analytic technique for constructing orthonormal basis expansions of translation-invariant kernels from orthonormal bases of $\mathscr{L}_2(\mathbb{R})$. This allows us to derive explicit expansions on the real line for (i) Mat\'ern kernels of all half-integer orders in terms of associated Laguerre functions, (ii) the Cauchy kernel in terms of rational functions, and (iii) the Gaussian kernel in terms of Hermite functions.

Achieving human-level dexterity is an important open problem in robotics. However, tasks of dexterous hand manipulation, even at the baby level, are challenging to solve through reinforcement learning (RL). The difficulty lies in the high degrees of freedom and the required cooperation among heterogeneous agents (e.g., joints of fingers). In this study, we propose the Bimanual Dexterous Hands Benchmark (Bi-DexHands), a simulator that involves two dexterous hands with tens of bimanual manipulation tasks and thousands of target objects. Specifically, tasks in Bi-DexHands are designed to match different levels of human motor skills according to cognitive science literature. We built Bi-DexHands in the Issac Gym; this enables highly efficient RL training, reaching 30,000+ FPS by only one single NVIDIA RTX 3090. We provide a comprehensive benchmark for popular RL algorithms under different settings; this includes Single-agent/Multi-agent RL, Offline RL, Multi-task RL, and Meta RL. Our results show that the PPO type of on-policy algorithms can master simple manipulation tasks that are equivalent up to 48-month human babies (e.g., catching a flying object, opening a bottle), while multi-agent RL can further help to master manipulations that require skilled bimanual cooperation (e.g., lifting a pot, stacking blocks). Despite the success on each single task, when it comes to acquiring multiple manipulation skills, existing RL algorithms fail to work in most of the multi-task and the few-shot learning settings, which calls for more substantial development from the RL community. Our project is open sourced at https://github.com/PKU-MARL/DexterousHands.

Vehicle arrival time prediction has been studied widely. With the emergence of IoT devices and deep learning techniques, estimated time of arrival (ETA) has become a critical component in intelligent transportation systems. Though many tools exist for ETA, ETA for special vehicles, such as ambulances, fire engines, etc., is still challenging due to the limited amount of traffic data for special vehicles. Existing works use one model for all types of vehicles, which can lead to low accuracy. To tackle this, as the first in the field, we propose a deep transfer learning framework TLETA for the driving time prediction. TLETA constructs cellular spatial-temporal knowledge grids for extracting driving patterns, combined with the road network structure embedding to build a deep neural network for ETA. TLETA contains transferable layers to support knowledge transfer between different categories of vehicles. Importantly, our transfer models only train the last layers to map the transferred knowledge, that reduces the training time significantly. The experimental studies show that our model predicts travel time with high accuracy and outperforms many state-of-the-art approaches.

Learning fair representation is crucial for achieving fairness or debiasing sensitive information. Most existing works rely on adversarial representation learning to inject some invariance into representation. However, adversarial learning methods are known to suffer from relatively unstable training, and this might harm the balance between fairness and predictiveness of representation. We propose a new approach, learning FAir Representation via distributional CONtrastive Variational AutoEncoder (FarconVAE), which induces the latent space to be disentangled into sensitive and nonsensitive parts. We first construct the pair of observations with different sensitive attributes but with the same labels. Then, FarconVAE enforces each non-sensitive latent to be closer, while sensitive latents to be far from each other and also far from the non-sensitive latent by contrasting their distributions. We provide a new type of contrastive loss motivated by Gaussian and Student-t kernels for distributional contrastive learning with theoretical analysis. Besides, we adopt a new swap-reconstruction loss to boost the disentanglement further. FarconVAE shows superior performance on fairness, pretrained model debiasing, and domain generalization tasks from various modalities, including tabular, image, and text.

A digital twin is a surrogate model that has the main feature to mirror the original process behavior. Associating the dynamical process with a digital twin model of reduced complexity has the significant advantage to map the dynamics with high accuracy and reduced costs in CPU time and hardware to timescales over which that suffers significantly changes and so it is difficult to explore. This paper introduces a new framework for creating efficient digital twin models of fluid flows. We introduce a novel algorithm that combines the advantages of Krylov based dynamic mode decomposition with proper orthogonal decomposition and outperforms the selection of the most influential modes. We prove that randomized orthogonal decomposition algorithm provides several advantages over SVD empirical orthogonal decomposition methods and mitigates the projection error formulating a multiobjective optimization problem.We involve the state-of-the-art artificial intelligence Deep Learning (DL) to perform a real-time adaptive calibration of the digital twin model, with increasing fidelity. The output is a high-fidelity DIGITAL TWIN DATA MODEL of the fluid flow dynamics, with the advantage of a reduced complexity. The new modelling tools are investigated in the numerical simulation of three wave phenomena with increasing complexity. We show that the outputs are consistent with the original source data.We perform a thorough assessment of the performance of the new digital twin data models, in terms of numerical accuracy and computational efficiency, including a time simulation response feature study.  ( 2 min )

A novel method for real-time solar generation forecast using weather data, while exploiting both spatial and temporal structural dependencies is proposed. The network observed over time is projected to a lower-dimensional representation where a variety of weather measurements are used to train a structured regression model while weather forecast is used at the inference stage. Experiments were conducted at 288 locations in the San Antonio, TX area on obtained from the National Solar Radiation Database. The model predicts solar irradiance with a good accuracy (R2 0.91 for the summer, 0.85 for the winter, and 0.89 for the global model). The best accuracy was obtained by the Random Forest Regressor. Multiple experiments were conducted to characterize influence of missing data and different time horizons providing evidence that the new algorithm is robust for data missing not only completely at random but also when the mechanism is spatial, and temporal.

Vision-Language (VL) models with the Two-Tower architecture have dominated visual-language representation learning in recent years. Current VL models either use lightweight uni-modal encoders and learn to extract, align and fuse both modalities simultaneously in a cross-modal encoder, or feed the last-layer uni-modal features directly into the top cross-modal encoder, ignoring the semantic information at the different levels in the deep uni-modal encoders. Both approaches possibly restrict vision-language representation learning and limit model performance. In this paper, we introduce multiple bridge layers that build a connection between the top layers of uni-modal encoders and each layer of the cross-modal encoder. This enables comprehensive bottom-up interactions between visual and textual representations at different semantic levels, resulting in more effective cross-modal alignment and fusion. Our proposed Bridge-Tower, pre-trained with only $4$M images, achieves state-of-the-art performance on various downstream vision-language tasks. On the VQAv2 test-std set, Bridge-Tower achieves an accuracy of $78.73\%$, outperforming the previous state-of-the-art METER model by $1.09\%$ with the same pre-training data and almost no additional parameters and computational cost. Notably, when further scaling the model, Bridge-Tower achieves an accuracy of $81.15\%$, surpassing models that are pre-trained on orders-of-magnitude larger datasets. Code is available at https://github.com/microsoft/BridgeTower.

People usually believe that network pruning not only reduces the computational cost of deep networks, but also prevents overfitting by decreasing model capacity. However, our work surprisingly discovers that network pruning sometimes even aggravates overfitting. We report an unexpected sparse double descent phenomenon that, as we increase model sparsity via network pruning, test performance first gets worse (due to overfitting), then gets better (due to relieved overfitting), and gets worse at last (due to forgetting useful information). While recent studies focused on the deep double descent with respect to model overparameterization, they failed to recognize that sparsity may also cause double descent. In this paper, we have three main contributions. First, we report the novel sparse double descent phenomenon through extensive experiments. Second, for this phenomenon, we propose a novel learning distance interpretation that the curve of $\ell_{2}$ learning distance of sparse models (from initialized parameters to final parameters) may correlate with the sparse double descent curve well and reflect generalization better than minima flatness. Third, in the context of sparse double descent, a winning ticket in the lottery ticket hypothesis surprisingly may not always win.

Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they help enhance the machining quality by offering comprehension of the inter-relationships between the laser processing parameters. On the other hand, experimental processing parameter optimization recommends a systematic, and consequently time-consuming, investigation over the available processing parameter space. An intelligent strategy is to employ machine learning (ML) techniques to capture the relationship between picosecond laser machining parameters for finding proper parameter combinations to create the desired cuts on industrial-grade alumina ceramic with deep, smooth and defect-free patterns. Laser parameters such as beam amplitude and frequency, scanner passing speed and the number of passes over the surface, as well as the vertical distance of the scanner from the sample surface, are used for predicting the depth, top width, and bottom width of the engraved channels using ML models. Owing to the complex correlation between laser parameters, it is shown that Neural Networks (NN) are the most efficient in predicting the outputs. Equipped with an ML model that captures the interconnection between laser parameters and the engraved channel dimensions, one can predict the required input parameters to achieve a target channel geometry. This strategy significantly reduces the cost and effort of experimental laser machining during the development phase, without compromising accuracy or performance. The developed techniques can be applied to a wide range of ceramic laser machining processes.

By applying entropy codecs with learned data distributions, neural compressors have significantly outperformed traditional codecs in terms of compression ratio. However, the high inference latency of neural networks hinders the deployment of neural compressors in practical applications. In this work, we propose Integer-only Discrete Flows (IODF), an efficient neural compressor with integer-only arithmetic. Our work is built upon integer discrete flows, which consists of invertible transformations between discrete random variables. We propose efficient invertible transformations with integer-only arithmetic based on 8-bit quantization. Our invertible transformation is equipped with learnable binary gates to remove redundant filters during inference. We deploy IODF with TensorRT on GPUs, achieving 10x inference speedup compared to the fastest existing neural compressors, while retaining the high compression rates on ImageNet32 and ImageNet64.

Graph neural networks (GNNs) have been intensively applied to various graph-based applications. Despite their success, manually designing the well-behaved GNNs requires immense human expertise. And thus it is inefficient to discover the potentially optimal data-specific GNN architecture. This paper proposes DFG-NAS, a new neural architecture search (NAS) method that enables the automatic search of very deep and flexible GNN architectures. Unlike most existing methods that focus on micro-architectures, DFG-NAS highlights another level of design: the search for macro-architectures on how atomic propagation (\textbf{\texttt{P}}) and transformation (\textbf{\texttt{T}}) operations are integrated and organized into a GNN. To this end, DFG-NAS proposes a novel search space for \textbf{\texttt{P-T}} permutations and combinations based on message-passing dis-aggregation, defines four custom-designed macro-architecture mutations, and employs the evolutionary algorithm to conduct an efficient and effective search. Empirical studies on four node classification tasks demonstrate that DFG-NAS outperforms state-of-the-art manual designs and NAS methods of GNNs.

Code clones are pairs of code snippets that implement similar functionality. Clone detection is a fundamental branch of automatic source code comprehension, having many applications in refactoring recommendation, plagiarism detection, and code summarization. A particularly interesting case of clone detection is the detection of semantic clones, i.e., code snippets that have the same functionality but significantly differ in implementation. A promising approach to detecting semantic clones is contrastive learning (CL), a machine learning paradigm popular in computer vision but not yet commonly adopted for code processing. Our work aims to evaluate the most popular CL algorithms combined with three source code representations on two tasks. The first task is code clone detection, which we evaluate on the POJ-104 dataset containing implementations of 104 algorithms. The second task is plagiarism detection. To evaluate the models on this task, we introduce CodeTransformator, a tool for transforming source code. We use it to create a dataset that mimics plagiarised code based on competitive programming solutions. We trained nine models for both tasks and compared them with six existing approaches, including traditional tools and modern pre-trained neural models. The results of our evaluation show that proposed models perform diversely in each task, however the performance of the graph-based models is generally above the others. Among CL algorithms, SimCLR and SwAV lead to better results, while Moco is the most robust approach. Our code and trained models are available at https://doi.org/10.5281/zenodo.6360627, https://doi.org/10.5281/zenodo.5596345.

Federated learning enables different parties to collaboratively build a global model under the orchestration of a server while keeping the training data on clients' devices. However, performance is affected when clients have heterogeneous data. To cope with this problem, we assume that despite data heterogeneity, there are groups of clients who have similar data distributions that can be clustered. In previous approaches, in order to cluster clients the server requires clients to send their parameters simultaneously. However, this can be problematic in a context where there is a significant number of participants that may have limited availability. To prevent such a bottleneck, we propose FLIC (Federated Learning with Incremental Clustering), in which the server exploits the updates sent by clients during federated training instead of asking them to send their parameters simultaneously. Hence no additional communications between the server and the clients are necessary other than what classical federated learning requires. We empirically demonstrate for various non-IID cases that our approach successfully splits clients into groups following the same data distributions. We also identify the limitations of FLIC by studying its capability to partition clients at the early stages of the federated learning process efficiently. We further address attacks on models as a form of data heterogeneity and empirically show that FLIC is a robust defense against poisoning attacks even when the proportion of malicious clients is higher than 50\%.

Training populations of agents has demonstrated great promise in Reinforcement Learning for stabilizing training, improving exploration and asymptotic performance, and generating a diverse set of solutions. However, population-based training is often not considered by practitioners as it is perceived to be either prohibitively slow (when implemented sequentially), or computationally expensive (if agents are trained in parallel on independent accelerators). In this work, we compare implementations and revisit previous studies to show that the judicious use of compilation and vectorization allows population-based training to be performed on a single machine with one accelerator with minimal overhead compared to training a single agent. We also show that, when provided with a few accelerators, our protocols extend to large population sizes for applications such as hyperparameter tuning. We hope that this work and the public release of our code will encourage practitioners to use population-based learning more frequently for their research and applications.

The Neural Tangent Kernel (NTK), defined as $\Theta_\theta^f(x_1, x_2) = \left[\partial f(\theta, x_1)\big/\partial \theta\right] \left[\partial f(\theta, x_2)\big/\partial \theta\right]^T$ where $\left[\partial f(\theta, \cdot)\big/\partial \theta\right]$ is a neural network (NN) Jacobian, has emerged as a central object of study in deep learning. In the infinite width limit, the NTK can sometimes be computed analytically and is useful for understanding training and generalization of NN architectures. At finite widths, the NTK is also used to better initialize NNs, compare the conditioning across models, perform architecture search, and do meta-learning. Unfortunately, the finite width NTK is notoriously expensive to compute, which severely limits its practical utility. We perform the first in-depth analysis of the compute and memory requirements for NTK computation in finite width networks. Leveraging the structure of neural networks, we further propose two novel algorithms that change the exponent of the compute and memory requirements of the finite width NTK, dramatically improving efficiency. Our algorithms can be applied in a black box fashion to any differentiable function, including those implementing neural networks. We open-source our implementations within the Neural Tangents package (arXiv:1912.02803) at https://github.com/google/neural-tangents.

Existing unsupervised methods for keypoint learning rely heavily on the assumption that a specific keypoint type (e.g. elbow, digit, abstract geometric shape) appears only once in an image. This greatly limits their applicability, as each instance must be isolated before applying the method-an issue that is never discussed or evaluated. We thus propose a novel method to learn Task-agnostic, UnSupervised Keypoints (TUSK) which can deal with multiple instances. To achieve this, instead of the commonly-used strategy of detecting multiple heatmaps, each dedicated to a specific keypoint type, we use a single heatmap for detection, and enable unsupervised learning of keypoint types through clustering. Specifically, we encode semantics into the keypoints by teaching them to reconstruct images from a sparse set of keypoints and their descriptors, where the descriptors are forced to form distinct clusters in feature space around learned prototypes. This makes our approach amenable to a wider range of tasks than any previous unsupervised keypoint method: we show experiments on multiple-instance detection and classification, object discovery, and landmark detection-all unsupervised-with performance on par with the state of the art, while also being able to deal with multiple instances.  ( 2 min )

When learning new tasks in a sequential manner, deep neural networks tend to forget tasks that they previously learned, a phenomenon called catastrophic forgetting. Class incremental learning methods aim to address this problem by keeping a memory of a few exemplars from previously learned tasks, and distilling knowledge from them. However, existing methods struggle to balance the performance across classes since they typically overfit the model to the latest task. In our work, we propose to address these challenges with the introduction of a novel methodology of Tangent Kernel for Incremental Learning (TKIL) that achieves class-balanced performance. The approach preserves the representations across classes and balances the accuracy for each class, and as such achieves better overall accuracy and variance. TKIL approach is based on Neural Tangent Kernel (NTK), which describes the convergence behavior of neural networks as a kernel function in the limit of infinite width. In TKIL, the gradients between feature layers are treated as the distance between the representations of these layers and can be defined as Gradients Tangent Kernel loss (GTK loss) such that it is minimized along with averaging weights. This allows TKIL to automatically identify the task and to quickly adapt to it during inference. Experiments on CIFAR-100 and ImageNet datasets with various incremental learning settings show that these strategies allow TKIL to outperform existing state-of-the-art methods.

End-to-end learning of dynamical systems with black-box models, such as neural ordinary differential equations (ODEs), provides a flexible framework for learning dynamics from data without prescribing a mathematical model for the dynamics. Unfortunately, this flexibility comes at the cost of understanding the dynamical system, for which ODEs are used ubiquitously. Further, experimental data are collected under various conditions (inputs), such as treatments, or grouped in some way, such as part of sub-populations. Understanding the effects of these system inputs on system outputs is crucial to have any meaningful model of a dynamical system. To that end, we propose a structured latent ODE model that explicitly captures system input variations within its latent representation. Building on a static latent variable specification, our model learns (independent) stochastic factors of variation for each input to the system, thus separating the effects of the system inputs in the latent space. This approach provides actionable modeling through the controlled generation of time-series data for novel input combinations (or perturbations). Additionally, we propose a flexible approach for quantifying uncertainties, leveraging a quantile regression formulation. Results on challenging biological datasets show consistent improvements over competitive baselines in the controlled generation of observational data and inference of biologically meaningful system inputs.

Biclustering on bipartite graphs is an unsupervised learning task that simultaneously clusters the two types of objects in the graph, for example, users and movies in a movie review dataset. The latent block model (LBM) has been proposed as a model-based tool for biclustering. Biclustering results by the LBM are, however, usually dominated by the row and column sums of the data matrix, i.e., degrees. We propose a degree-corrected latent block model (DC-LBM) to accommodate degree heterogeneity in row and column clusters, which greatly outperforms the classical LBM in the MovieLens dataset and simulated data. We develop an efficient variational expectation-maximization algorithm by observing that the row and column degrees maximize the objective function in the M step given any probability assignment on the cluster labels. We prove the label consistency of the variational estimator under the DC-LBM, which allows the expected graph density goes to zero as long as the average expected degrees of rows and columns go to infinity.

In a nonparametric setting, the causal structure is often identifiable only up to Markov equivalence, and for the purpose of causal inference, it is useful to learn a graphical representation of the Markov equivalence class (MEC). In this paper, we revisit the Greedy Equivalence Search (GES) algorithm, which is widely cited as a score-based algorithm for learning the MEC of the underlying causal structure. We observe that in order to make the GES algorithm consistent in a nonparametric setting, it is not necessary to design a scoring metric that evaluates graphs. Instead, it suffices to plug in a consistent estimator of a measure of conditional dependence to guide the search. We therefore present a reframing of the GES algorithm, which is more flexible than the standard score-based version and readily lends itself to the nonparametric setting with a general measure of conditional dependence. In addition, we propose a neural conditional dependence (NCD) measure, which utilizes the expressive power of deep neural networks to characterize conditional independence in a nonparametric manner. We establish the optimality of the reframed GES algorithm under standard assumptions and the consistency of using our NCD estimator to decide conditional independence. Together these results justify the proposed approach. Experimental results demonstrate the effectiveness of our method in causal discovery, as well as the advantages of using our NCD measure over kernel-based measures.

Modern deep learning systems are increasingly deployed in situations such as personalization and federated learning where it is necessary to support i) learning on small amounts of data, and ii) communication efficient distributed training protocols. In this work we develop FiLM Transfer (FiT) which fulfills these requirements in the image classification setting. FiT uses an automatically configured Naive Bayes classifier on top of a fixed backbone that has been pretrained on large image datasets. Parameter efficient FiLM layers are used to modulate the backbone, shaping the representation for the downstream task. The network is trained via an episodic fine-tuning protocol. The approach is parameter efficient which is key for enabling few-shot learning, inexpensive model updates for personalization, and communication efficient federated learning. We experiment with FiT on a wide range of downstream datasets and show that it achieves better classification accuracy than the state-of-the-art Big Transfer (BiT) algorithm at low-shot and on the challenging VTAB-1k benchmark, with fewer than 1% of the updateable parameters. Finally, we demonstrate the parameter efficiency of FiT in distributed low-shot applications including model personalization and federated learning where model update size is an important performance metric.

Approaches to policy optimization have been motivated from diverse principles, based on how the parametric model is interpreted (e.g. value versus policy representation) or how the learning objective is formulated, yet they share a common goal of maximizing expected return. To better capture the commonalities and identify key differences between policy optimization methods, we develop a unified perspective that re-expresses the underlying updates in terms of a limited choice of gradient form and scaling function. In particular, we identify a parameterized space of approximate gradient updates for policy optimization that is highly structured, yet covers both classical and recent examples, including PPO. As a result, we obtain novel yet well motivated updates that generalize existing algorithms in a way that can deliver benefits both in terms of convergence speed and final result quality. An experimental investigation demonstrates that the additional degrees of freedom provided in the parameterized family of updates can be leveraged to obtain non-trivial improvements both in synthetic domains and on popular deep RL benchmarks.

Trajectory prediction and behavioral decision-making are two important tasks for autonomous vehicles that require good understanding of the environmental context; behavioral decisions are better made by referring to the outputs of trajectory predictions. However, most current solutions perform these two tasks separately. Therefore, a joint neural network that combines multiple cues is proposed and named as the holistic transformer to predict trajectories and make behavioral decisions simultaneously. To better explore the intrinsic relationships between cues, the network uses existing knowledge and adopts three kinds of attention mechanisms: the sparse multi-head type for reducing noise impact, feature selection sparse type for optimally using partial prior knowledge, and multi-head with sigmoid activation type for optimally using posteriori knowledge. Compared with other trajectory prediction models, the proposed model has better comprehensive performance and good interpretability. Perceptual noise robustness experiments demonstrate that the proposed model has good noise robustness. Thus, simultaneous trajectory prediction and behavioral decision-making combining multiple cues can reduce computational costs and enhance semantic relationships between scenes and agents.

Covariate-shift generalization, a typical case in out-of-distribution (OOD) generalization, requires a good performance on the unknown test distribution, which varies from the accessible training distribution in the form of covariate shift. Recently, independence-driven importance weighting algorithms in stable learning literature have shown empirical effectiveness to deal with covariate-shift generalization on several learning models, including regression algorithms and deep neural networks, while their theoretical analyses are missing. In this paper, we theoretically prove the effectiveness of such algorithms by explaining them as feature selection processes. We first specify a set of variables, named minimal stable variable set, that is the minimal and optimal set of variables to deal with covariate-shift generalization for common loss functions, such as the mean squared loss and binary cross-entropy loss. Afterward, we prove that under ideal conditions, independence-driven importance weighting algorithms could identify the variables in this set. Analysis of asymptotic properties is also provided. These theories are further validated in several synthetic experiments.

We study oracle complexity of gradient based methods for stochastic approximation problems. Though in many settings optimal algorithms and tight lower bounds are known for such problems, these optimal algorithms do not achieve the best performance when used in practice. We address this theory-practice gap by focusing on instance-dependent complexity instead of worst case complexity. In particular, we first summarize known instance-dependent complexity results and categorize them into three levels. We identify the domination relation between different levels and propose a fourth instance-dependent bound that dominates existing ones. We then provide a sufficient condition according to which an adaptive algorithm with moment estimation can achieve the proposed bound without knowledge of noise levels. Our proposed algorithm and its analysis provide a theoretical justification for the success of moment estimation as it achieves improved instance complexity.

This paper studies online algorithms augmented with multiple machine-learned predictions. While online algorithms augmented with a single prediction have been extensively studied in recent years, the literature for the multiple predictions setting is sparse. In this paper, we give a generic algorithmic framework for online covering problems with multiple predictions that obtains an online solution that is competitive against the performance of the best predictor. Our algorithm incorporates the use of predictions in the classic potential-based analysis of online algorithms. We apply our algorithmic framework to solve classical problems such as online set cover, (weighted) caching, and online facility location in the multiple predictions setting. Our algorithm can also be robustified, i.e., the algorithm can be simultaneously made competitive against the best prediction and the performance of the best online algorithm (without prediction).

A recent line of work has established uncoupled learning dynamics such that, when employed by all players in a game, each player's \emph{regret} after $T$ repetitions grows polylogarithmically in $T$, an exponential improvement over the traditional guarantees within the no-regret framework. However, so far these results have only been limited to certain classes of games with structured strategy spaces -- such as normal-form and extensive-form games. The question as to whether $O(\text{polylog} T)$ regret bounds can be obtained for general convex and compact strategy sets -- which occur in many fundamental models in economics and multiagent systems -- while retaining efficient strategy updates is an important question. In this paper, we answer this in the positive by establishing the first uncoupled learning algorithm with $O(\log T)$ per-player regret in general \emph{convex games}, that is, games with concave utility functions supported on arbitrary convex and compact strategy sets. Our learning dynamics are based on an instantiation of optimistic follow-the-regularized-leader over an appropriately \emph{lifted} space using a \emph{self-concordant regularizer} that is, peculiarly, not a barrier for the feasible region. Further, our learning dynamics are efficiently implementable given access to a proximal oracle for the convex strategy set, leading to $O(\log\log T)$ per-iteration complexity; we also give extensions when access to only a \emph{linear} optimization oracle is assumed. Finally, we adapt our dynamics to guarantee $O(\sqrt{T})$ regret in the adversarial regime. Even in those special cases where prior results apply, our algorithm improves over the state-of-the-art regret bounds either in terms of the dependence on the number of iterations or on the dimension of the strategy sets.  ( 3 min )

With machine learning being a popular topic in current computational materials science literature, creating representations for compounds has become common place. These representations are rarely compared, as evaluating their performance - and the performance of the algorithms that they are used with - is non-trivial. With many materials datasets containing bias and skew caused by the research process, leave one cluster out cross validation (LOCO-CV) has been introduced as a way of measuring the performance of an algorithm in predicting previously unseen groups of materials. This raises the question of the impact, and control, of the range of cluster sizes on the LOCO-CV measurement outcomes. We present a thorough comparison between composition-based representations, and investigate how kernel approximation functions can be used to better separate data to enhance LOCO-CV applications. We find that domain knowledge does not improve machine learning performance in most tasks tested, with band gap prediction being the notable exception. We also find that the radial basis function improves the linear separability of chemical datasets in all 10 datasets tested and provide a framework for the application of this function in the LOCO-CV process to improve the outcome of LOCO-CV measurements regardless of machine learning algorithm, choice of metric, and choice of compound representation. We recommend kernelised LOCO-CV as a training paradigm for those looking to measure the extrapolatory power of an algorithm on materials data.

Bayesian approaches developed to solve the optimal design of sequential experiments are mathematically elegant but computationally challenging. Recently, techniques using amortization have been proposed to make these Bayesian approaches practical, by training a parameterized policy that proposes designs efficiently at deployment time. However, these methods may not sufficiently explore the design space, require access to a differentiable probabilistic model and can only optimize over continuous design spaces. Here, we address these limitations by showing that the problem of optimizing policies can be reduced to solving a Markov decision process (MDP). We solve the equivalent MDP with modern deep reinforcement learning techniques. Our experiments show that our approach is also computationally efficient at deployment time and exhibits state-of-the-art performance on both continuous and discrete design spaces, even when the probabilistic model is a black box.

The problem of learning functions over spaces of probabilities - or distribution regression - is gaining significant interest in the machine learning community. A key challenge behind this problem is to identify a suitable representation capturing all relevant properties of the underlying functional mapping. A principled approach to distribution regression is provided by kernel mean embeddings, which lifts kernel-induced similarity on the input domain at the probability level. This strategy effectively tackles the two-stage sampling nature of the problem, enabling one to derive estimators with strong statistical guarantees, such as universal consistency and excess risk bounds. However, kernel mean embeddings implicitly hinge on the maximum mean discrepancy (MMD), a metric on probabilities, which may fail to capture key geometrical relations between distributions. In contrast, optimal transport (OT) metrics, are potentially more appealing. In this work, we propose an OT-based estimator for distribution regression. We build on the Sliced Wasserstein distance to obtain an OT-based representation. We study the theoretical properties of a kernel ridge regression estimator based on such representation, for which we prove universal consistency and excess risk bounds. Preliminary experiments complement our theoretical findings by showing the effectiveness of the proposed approach and compare it with MMD-based estimators.

Audio question answering (AQA) is a multimodal translation task where a system analyzes an audio signal and a natural language question, to generate a desirable natural language answer. In this paper, we introduce Clotho-AQA, a dataset for Audio question answering consisting of 1991 audio files each between 15 to 30 seconds in duration selected from the Clotho dataset. For each audio file, we collect six different questions and corresponding answers by crowdsourcing using Amazon Mechanical Turk. The questions and answers are produced by different annotators. Out of the six questions for each audio, two questions each are designed to have 'yes' and 'no' as answers, while the remaining two questions have other single-word answers. For each question, we collect answers from three different annotators. We also present two baseline experiments to describe the usage of our dataset for the AQA task - an LSTM-based multimodal binary classifier for 'yes' or 'no' type answers and an LSTM-based multimodal multi-class classifier for 828 single-word answers. The binary classifier achieved an accuracy of 62.7% and the multi-class classifier achieved a top-1 accuracy of 54.2% and a top-5 accuracy of 93.7%. Clotho-AQA dataset is freely available online at https://zenodo.org/record/6473207.

We consider the task of self-supervised representation learning (SSL) for tabular data: tabular-SSL. Typical contrastive learning based SSL methods require instance-wise data augmentations which are difficult to design for unstructured tabular data. Existing tabular-SSL methods design such augmentations in a relatively ad-hoc fashion and can fail to capture the underlying data manifold. Instead of augmentations based approaches for tabular-SSL, we propose a new reconstruction based method, called Masked Encoding for Tabular Data (MET), that does not require augmentations. MET is based on the popular MAE approach for vision-SSL [He et al., 2021] and uses two key ideas: (i) since each coordinate in a tabular dataset has a distinct meaning, we need to use separate representations for all coordinates, and (ii) using an adversarial reconstruction loss in addition to the standard one. Empirical results on five diverse tabular datasets show that MET achieves a new state of the art (SOTA) on all of these datasets and improves up to 9% over current SOTA methods. We shed more light on the working of MET via experiments on carefully designed simple datasets.

The vulnerability of machine learning models to spurious correlations has mostly been discussed in the context of supervised learning (SL). However, there is a lack of insight on how spurious correlations affect the performance of popular self-supervised learning (SSL) and auto-encoder based models (AE). In this work, we shed light on this by evaluating the performance of these models on both real world and synthetic distribution shift datasets. Following observations that the linear head itself can be susceptible to spurious correlations, we develop a novel evaluation scheme with the linear head trained on out-of-distribution (OOD) data, to isolate the performance of the pre-trained models from a potential bias of the linear head used for evaluation. With this new methodology, we show that SSL models are consistently more robust to distribution shifts and thus better at OOD generalisation than AE and SL models.

The front-door criterion can be used to identify and compute causal effects despite the existence of unmeasured confounders between a treatment and outcome. However, the key assumptions -- (i) the existence of a variable (or set of variables) that fully mediates the effect of the treatment on the outcome, and (ii) which simultaneously does not suffer from similar issues of confounding as the treatment-outcome pair -- are often deemed implausible. This paper explores the testability of these assumptions. We show that under mild conditions involving an auxiliary variable, the assumptions encoded in the front-door model (and simple extensions of it) may be tested via generalized equality constraints a.k.a Verma constraints. We propose two goodness-of-fit tests based on this observation, and evaluate the efficacy of our proposal on real and synthetic data. We also provide theoretical and empirical comparisons to instrumental variable approaches to handling unmeasured confounding.

Analysis of short text, such as social media posts, is extremely difficult because of their inherent brevity. In addition to classifying topics of such posts, a common downstream task is grouping the authors of these documents for subsequent analyses. We propose a novel model that expands on the Latent Dirichlet Allocation by modeling strong dependence among the words in the same document, with user-level topic distributions. We also simultaneously cluster users, removing the need for post-hoc cluster estimation and improving topic estimation by shrinking noisy user-level topic distributions towards typical values. Our method performs as well as -- or better -- than traditional approaches, and we demonstrate its usefulness on a dataset of tweets from United States Senators, recovering both meaningful topics and clusters that reflect partisan ideology. We also develop a novel measure of echo chambers among these politicians by characterizing insularity of topics discussed by groups of Senators and provide uncertainty quantification.

Machine learning (ML) systems are rapidly increasing in size, are acquiring new capabilities, and are increasingly deployed in high-stakes settings. As with other powerful technologies, safety for ML should be a leading research priority. In response to emerging safety challenges in ML, such as those introduced by recent large-scale models, we provide a new roadmap for ML Safety and refine the technical problems that the field needs to address. We present four problems ready for research, namely withstanding hazards ("Robustness"), identifying hazards ("Monitoring"), reducing inherent model hazards ("Alignment"), and reducing systemic hazards ("Systemic Safety"). Throughout, we clarify each problem's motivation and provide concrete research directions.

Out-of-distribution (OOD) detection is a critical task for deploying machine learning models in the open world. Distance-based methods have demonstrated promise, where testing samples are detected as OOD if they are relatively far away from in-distribution (ID) data. However, prior methods impose a strong distributional assumption of the underlying feature space, which may not always hold. In this paper, we explore the efficacy of non-parametric nearest-neighbor distance for OOD detection, which has been largely overlooked in the literature. Unlike prior works, our method does not impose any distributional assumption, hence providing stronger flexibility and generality. We demonstrate the effectiveness of nearest-neighbor-based OOD detection on several benchmarks and establish superior performance. Under the same model trained on ImageNet-1k, our method substantially reduces the false positive rate (FPR@TPR95) by 24.77% compared to a strong baseline SSD+, which uses a parametric approach Mahalanobis distance in detection. Code is available: https://github.com/deeplearning-wisc/knn-ood.

A central challenge to applying many off-policy reinforcement learning algorithms to real world problems is the variance introduced by importance sampling. In off-policy learning, the agent learns about a different policy than the one being executed. To account for the difference importance sampling ratios are often used, but can increase variance in the algorithms and reduce the rate of learning. Several variations of importance sampling have been proposed to reduce variance, with per-decision importance sampling being the most popular. However, the update rules for most off-policy algorithms in the literature depart from per-decision importance sampling in a subtle way; they correct the entire TD error instead of just the TD target. In this work, we show how this slight change can be interpreted as a control variate for the TD target, reducing variance and improving performance. Experiments over a wide range of algorithms show this subtle modification results in improved performance.

Given a sequence of sets, where each set is associated with a timestamp and contains an arbitrary number of elements, the task of temporal sets prediction aims to predict the elements in the subsequent set. Previous studies for temporal sets prediction mainly capture each user's evolutionary preference by learning from his/her own sequence. Although insightful, we argue that: 1) the collaborative signals latent in different users' sequences are essential but have not been exploited; 2) users also tend to show stationary preferences while existing methods fail to consider. To this end, we propose an integrated learning framework to model both the evolutionary and the stationary preferences of users for temporal sets prediction, which first constructs a universal sequence by chronologically arranging all the user-set interactions, and then learns on each user-set interaction. In particular, for each user-set interaction, we first design an evolutionary user preference modelling component to track the user's time-evolving preference and exploit the latent collaborative signals among different users. This component maintains a memory bank to store memories of the related user and elements, and continuously updates their memories based on the currently encoded messages and the past memories. Then, we devise a stationary user preference modelling module to discover each user's personalized characteristics according to the historical sequence, which adaptively aggregates the previously interacted elements from dual perspectives with the guidance of the user's and elements' embeddings. Finally, we develop a set-batch algorithm to improve the model efficiency, which can create time-consistent batches in advance and achieve 3.5x training speedups on average. Experiments on real-world datasets demonstrate the effectiveness and good interpretability of our approach.

It is prevalent and well-observed, but poorly understood, that two machine learning models with similar performance during training can have very different real-world performance characteristics. This implies elusive differences in the internals of the models, manifesting as representational multiplicity (RM). We introduce a conceptual and experimental setup for analyzing RM and show that certain training methods systematically result in greater RM than others, measured by activation similarity via singular vector canonical correlation analysis (SVCCA). We further correlate it with predictive multiplicity measured by the variance in i.i.d. and out-of-distribution test set predictions, in four common image data sets. We call for systematic measurement and maximal exposure, not elimination, of RM in models. Qualitative tools such as our confabulator analysis can facilitate understanding and communication of RM effects to stakeholders.

Citizen science datasets can be very large and promise to improve species distribution modelling, but detection is imperfect, risking bias when fitting models. In particular, observers may not detect species that are actually present. Occupancy models can estimate and correct for this observation process, and multi-species occupancy models exploit similarities in the observation process, which can improve estimates for rare species. However, the computational methods currently used to fit these models do not scale to large datasets. We develop approximate Bayesian inference methods and use graphics processing units (GPUs) to scale multi-species occupancy models to very large citizen science data. We fit multi-species occupancy models to one month of data from the eBird project consisting of 186,811 checklist records comprising 430 bird species. We evaluate the predictions on a spatially separated test set of 59,338 records, comparing two different inference methods -- Markov chain Monte Carlo (MCMC) and variational inference (VI) -- to occupancy models fitted to each species separately using maximum likelihood. We fitted models to the entire dataset using VI, and up to 32,000 records with MCMC. VI fitted to the entire dataset performed best, outperforming single-species models on both AUC (90.4% compared to 88.7%) and on log likelihood (-0.080 compared to -0.085). We also evaluate how well range maps predicted by the model agree with expert maps. We find that modelling the detection process greatly improves agreement and that the resulting maps agree as closely with expert maps as ones estimated using high quality survey data. Our results demonstrate that multi-species occupancy models are a compelling approach to model large citizen science datasets, and that, once the observation process is taken into account, they can model species distributions accurately.

Vision-Language Pre-training (VLP) models have shown remarkable performance on various downstream tasks. Their success heavily relies on the scale of pre-trained cross-modal datasets. However, the lack of large-scale datasets and benchmarks in Chinese hinders the development of Chinese VLP models and broader multilingual applications. In this work, we release a large-scale Chinese cross-modal dataset named Wukong, which contains 100 million Chinese image-text pairs collected from the web. Wukong aims to benchmark different multi-modal pre-training methods to facilitate the VLP research and community development. Furthermore, we release a group of models pre-trained with various image encoders (ViT-B/ViT-L/SwinT) and also apply advanced pre-training techniques into VLP such as locked-image text tuning, token-wise similarity in contrastive learning, and reduced-token interaction. Extensive experiments and a benchmarking of different downstream tasks including a new largest human-verified image-text test dataset are also provided. Experiments show that Wukong can serve as a promising Chinese pre-training dataset and benchmark for different cross-modal learning methods. For the zero-shot image classification task on 10 datasets, $Wukong_{ViT-L}$ achieves an average accuracy of 73.03%. For the image-text retrieval task, it achieves a mean recall of 71.6% on AIC-ICC which is 12.9% higher than WenLan 2.0. Also, our Wukong models are benchmarked on downstream tasks with other variants on multiple datasets, e.g., Flickr8K-CN, Flickr-30K-CN, COCO-CN, et~al. More information can be referred to: https://wukong-dataset.github.io/wukong-dataset/.

Structuring the latent space in probabilistic deep generative models, e.g., variational autoencoders (VAEs), is important to yield more expressive models and interpretable representations, and to avoid overfitting. One way to achieve this objective is to impose a sparsity constraint on the latent variables, e.g., via a Laplace prior. However, such approaches usually complicate the training phase, and they sacrifice the reconstruction quality to promote sparsity. In this paper, we propose a simple yet effective methodology to structure the latent space via a sparsity-promoting dictionary model, which assumes that each latent code can be written as a sparse linear combination of a dictionary's columns. In particular, we leverage a computationally efficient and tuning-free method, which relies on a zero-mean Gaussian latent prior with learnable variances. We derive a variational inference scheme to train the model. Experiments on speech generative modeling demonstrate the advantage of the proposed approach over competing techniques, since it promotes sparsity while not deteriorating the output speech quality.

We give a sketching-based iterative algorithm that computes a $1+\varepsilon$ approximate solution for the ridge regression problem $\min_x \|Ax-b\|_2^2 +\lambda\|x\|_2^2$ where $A \in R^{n \times d}$ with $d \ge n$. Our algorithm, for a constant number of iterations (requiring a constant number of passes over the input), improves upon earlier work (Chowdhury et al.) by requiring that the sketching matrix only has a weaker Approximate Matrix Multiplication (AMM) guarantee that depends on $\varepsilon$, along with a constant subspace embedding guarantee. The earlier work instead requires that the sketching matrix has a subspace embedding guarantee that depends on $\varepsilon$. For example, to produce a $1+\varepsilon$ approximate solution in $1$ iteration, which requires $2$ passes over the input, our algorithm requires the OSNAP embedding to have $m= O(n\sigma^2/\lambda\varepsilon)$ rows with a sparsity parameter $s = O(\log(n))$, whereas the earlier algorithm of Chowdhury et al. with the same number of rows of OSNAP requires a sparsity $s = O(\sqrt{\sigma^2/\lambda\varepsilon} \cdot \log(n))$, where $\sigma = \opnorm{A}$ is the spectral norm of the matrix $A$. We also show that this algorithm can be used to give faster algorithms for kernel ridge regression. Finally, we show that the sketch size required for our algorithm is essentially optimal for a natural framework of algorithms for ridge regression by proving lower bounds on oblivious sketching matrices for AMM. The sketch size lower bounds for AMM may be of independent interest.

The scalability of recurrent neural networks (RNNs) is hindered by the sequential dependence of each time step's computation on the previous time step's output. Therefore, one way to speed up and scale RNNs is to reduce the computation required at each time step independent of model size and task. In this paper, we propose a model that reformulates Gated Recurrent Units (GRU) as an event-based activity-sparse model that we call the Event-based GRU (EGRU), where units compute updates only on receipt of input events (event-based) from other units. When combined with having only a small fraction of the units active at a time (activity-sparse), this model has the potential to be vastly more compute efficient than current RNNs. Notably, activity-sparsity in our model also translates into sparse parameter updates during gradient descent, extending this compute efficiency to the training phase. We show that the EGRU demonstrates competitive performance compared to state-of-the-art recurrent network models in real-world tasks, including language modeling while maintaining high activity sparsity naturally during inference and training. This sets the stage for the next generation of recurrent networks that are scalable and more suitable for novel neuromorphic hardware.

Characterizing the remarkable generalization properties of over-parameterized neural networks remains an open problem. In this paper, we promote a shift of focus towards initialization rather than neural architecture or (stochastic) gradient descent to explain this implicit regularization. Through a Fourier lens, we derive a general result for the spectral bias of neural networks and show that the generalization of neural networks is heavily tied to their initialization. Further, we empirically solidify the developed theoretical insights using practical, deep networks. Finally, we make a case against the controversial flat-minima conjecture and show that Fourier analysis grants a more reliable framework for understanding the generalization of neural networks.  ( 2 min )

This paper presents a grounded language-image pre-training (GLIP) model for learning object-level, language-aware, and semantic-rich visual representations. GLIP unifies object detection and phrase grounding for pre-training. The unification brings two benefits: 1) it allows GLIP to learn from both detection and grounding data to improve both tasks and bootstrap a good grounding model; 2) GLIP can leverage massive image-text pairs by generating grounding boxes in a self-training fashion, making the learned representation semantic-rich. In our experiments, we pre-train GLIP on 27M grounding data, including 3M human-annotated and 24M web-crawled image-text pairs. The learned representations demonstrate strong zero-shot and few-shot transferability to various object-level recognition tasks. 1) When directly evaluated on COCO and LVIS (without seeing any images in COCO during pre-training), GLIP achieves 49.8 AP and 26.9 AP, respectively, surpassing many supervised baselines. 2) After fine-tuned on COCO, GLIP achieves 60.8 AP on val and 61.5 AP on test-dev, surpassing prior SoTA. 3) When transferred to 13 downstream object detection tasks, a 1-shot GLIP rivals with a fully-supervised Dynamic Head. Code is released at https://github.com/microsoft/GLIP.

Deploying deep neural networks~(DNNs) on edge devices provides efficient and effective solutions for the real-world tasks. Edge devices have been used for collecting a large volume of data efficiently in different domains. DNNs have been an effective tool for data processing and analysis. However, designing DNNs on edge devices is challenging due to the limited computational resources and memory. To tackle this challenge, we demonstrate Object Detection System for Edge Devices~(BED) on the MAX78000 DNN accelerator. It integrates on-device DNN inference with a camera and an LCD display for image acquisition and detection exhibition, respectively. BED is a concise, effective and detailed solution, including model training, quantization, synthesis and deployment. Experiment results indicate that BED can produce accurate detection with a 300-KB tiny DNN model, which takes only 91.9 ms of inference time and 1.845 mJ of energy.

Injecting gaussian noise into training features is well known to have regularization properties. This paper considers noise injections to numeric or categoric tabular features as passed to inference, which translates inference to a non-deterministic outcome and may have relevance to fairness considerations, adversarial example protection, or other use cases benefiting from non-determinism. We offer the Automunge library for tabular preprocessing as a resource for the practice, which includes options to integrate random sampling or entropy seeding with the support of quantum circuits, representing a new way to channel quantum algorithms into classical learning.

We systematize the approach to the investigation of deep neural network landscapes by basing it on the geometry of the space of implemented functions rather than the space of parameters. Grouping classifiers into equivalence classes, we develop a standardized parameterization in which all symmetries are removed, resulting in a toroidal topology. On this space, we explore the error landscape rather than the loss. This lets us derive a meaningful notion of the flatness of minimizers and of the geodesic paths connecting them. Using different optimization algorithms that sample minimizers with different flatness we study the mode connectivity and relative distances. Testing a variety of state-of-the-art architectures and benchmark datasets, we confirm the correlation between flatness and generalization performance; we further show that in function space flatter minima are closer to each other and that the barriers along the geodesics connecting them are small. We also find that minimizers found by variants of gradient descent can be connected by zero-error paths composed of two straight lines in parameter space, i.e. polygonal chains with a single bend. We observe similar qualitative results in neural networks with binary weights and activations, providing one of the first results concerning the connectivity in this setting. Our results hinge on symmetry removal, and are in remarkable agreement with the rich phenomenology described by some recent analytical studies performed on simple shallow models.

We present the MASSIVE dataset--Multilingual Amazon Slu resource package (SLURP) for Slot-filling, Intent classification, and Virtual assistant Evaluation. MASSIVE contains 1M realistic, parallel, labeled virtual assistant utterances spanning 51 languages, 18 domains, 60 intents, and 55 slots. MASSIVE was created by tasking professional translators to localize the English-only SLURP dataset into 50 typologically diverse languages from 29 genera. We also present modeling results on XLM-R and mT5, including exact match accuracy, intent classification accuracy, and slot-filling F1 score. We have released our dataset, modeling code, and models publicly.

Compositional generalization is a critical ability in learning and decision-making. We focus on the setting of reinforcement learning in object-oriented environments to study compositional generalization in world modeling. We (1) formalize the compositional generalization problem with an algebraic approach and (2) study how a world model can achieve that. We introduce a conceptual environment, Object Library, and two instances, and deploy a principled pipeline to measure the generalization ability. Motivated by the formulation, we analyze several methods with exact or no compositional generalization ability using our framework, and design a differentiable approach, Homomorphic Object-oriented World Model (HOWM), that achieves soft but more efficient compositional generalization.

Classical multiple instance learning (MIL) methods are often based on the identical and independent distributed assumption between instances, hence neglecting the potentially rich contextual information beyond individual entities. On the other hand, Transformers with global self-attention modules have been proposed to model the interdependencies among all instances. However, in this paper we question: Is global relation modeling using self-attention necessary, or can we appropriately restrict self-attention calculations to local regimes in large-scale whole slide images (WSIs)? We propose a general-purpose local attention graph-based Transformer for MIL (LA-MIL), introducing an inductive bias by explicitly contextualizing instances in adaptive local regimes of arbitrary size. Additionally, an efficiently adapted loss function enables our approach to learn expressive WSI embeddings for the joint analysis of multiple biomarkers. We demonstrate that LA-MIL achieves state-of-the-art results in mutation prediction for gastrointestinal cancer, outperforming existing models on important biomarkers such as microsatellite instability for colorectal cancer. Our findings suggest that local self-attention sufficiently models dependencies on par with global modules. Our LA-MIL implementation is available at https://github.com/agentdr1/LA_MIL.

Agent-based computational macroeconomics is a field with a rich academic history, yet one which has struggled to enter mainstream policy design toolboxes, plagued by the challenges associated with representing a complex and dynamic reality. The field of Reinforcement Learning (RL), too, has a rich history, and has recently been at the centre of several exponential developments. Modern RL implementations have been able to achieve unprecedented levels of sophistication, handling previously-unthinkable degrees of complexity. This review surveys the historical barriers of classical agent-based techniques in macroeconomic modelling, and contemplates whether recent developments in RL can overcome any of them.  ( 2 min )

In many real world applications of machine learning, models have to meet certain domain-based requirements that can be expressed as constraints (e.g., safety-critical constraints in autonomous driving systems). Such constraints are often handled by including them in a regularization term, while learning a model. This approach, however, does not guarantee 100% satisfaction of the constraints: it only reduces violations of the constraints on the training set rather than ensuring that the predictions by the model will always adhere to them. In this paper, we present a framework for learning models that provably fulfil the constraints under all circumstances (i.e., also on unseen data). To achieve this, we cast learning as a maximum satisfiability problem, and solve it using a novel SaDe algorithm that combines constraint satisfaction with gradient descent. We compare our method against regularization based baselines on linear models and show that our method is capable of enforcing different types of domain constraints effectively on unseen data, without sacrificing predictive performance.

Mean Field Games (MFGs) have been introduced to efficiently approximate games with very large populations of strategic agents. Recently, the question of learning equilibria in MFGs has gained momentum, particularly using model-free reinforcement learning (RL) methods. One limiting factor to further scale up using RL is that existing algorithms to solve MFGs require the mixing of approximated quantities such as strategies or $q$-values. This is far from being trivial in the case of non-linear function approximation that enjoy good generalization properties, e.g. neural networks. We propose two methods to address this shortcoming. The first one learns a mixed strategy from distillation of historical data into a neural network and is applied to the Fictitious Play algorithm. The second one is an online mixing method based on regularization that does not require memorizing historical data or previous estimates. It is used to extend Online Mirror Descent. We demonstrate numerically that these methods efficiently enable the use of Deep RL algorithms to solve various MFGs. In addition, we show that these methods outperform SotA baselines from the literature.

For stable training of generative adversarial networks (GANs), injecting instance noise into the input of the discriminator is considered as a theoretically sound solution, which, however, has not yet delivered on its promise in practice. This paper introduces Diffusion-GAN that employs a Gaussian mixture distribution, defined over all the diffusion steps of a forward diffusion chain, to inject instance noise. A random sample from the mixture, which is diffused from an observed or generated data, is fed as the input to the discriminator. The generator is updated by backpropagating its gradient through the forward diffusion chain, whose length is adaptively adjusted to control the maximum noise-to-data ratio allowed at each training step. Theoretical analysis verifies the soundness of the proposed Diffusion-GAN, which provides model- and domain-agnostic differentiable augmentation. A rich set of experiments on diverse datasets show that Diffusion-GAN can provide stable and data-efficient GAN training, bringing consistent performance improvement over strong GAN baselines for synthesizing photo-realistic images.

Textual backdoor attacks are a kind of practical threat to NLP systems. By injecting a backdoor in the training phase, the adversary could control model predictions via predefined triggers. As various attack and defense models have been proposed, it is of great significance to perform rigorous evaluations. However, we highlight two issues in previous backdoor learning evaluations: (1) The differences between real-world scenarios (e.g. releasing poisoned datasets or models) are neglected, and we argue that each scenario has its own constraints and concerns, thus requires specific evaluation protocols; (2) The evaluation metrics only consider whether the attacks could flip the models' predictions on poisoned samples and retain performances on benign samples, but ignore that poisoned samples should also be stealthy and semantic-preserving. To address these issues, we categorize existing works into three practical scenarios in which attackers release datasets, pre-trained models, and fine-tuned models respectively, then discuss their unique evaluation methodologies. On metrics, to completely evaluate poisoned samples, we use grammar error increase and perplexity difference for stealthiness, along with text similarity for validity. After formalizing the frameworks, we develop an open-source toolkit OpenBackdoor to foster the implementations and evaluations of textual backdoor learning. With this toolkit, we perform extensive experiments to benchmark attack and defense models under the suggested paradigm. To facilitate the underexplored defenses against poisoned datasets, we further propose CUBE, a simple yet strong clustering-based defense baseline. We hope that our frameworks and benchmarks could serve as the cornerstones for future model development and evaluations.  ( 3 min )

We develop an asymptotic theory of adversarial estimators ('A-estimators'). They generalize maximum-likelihood-type estimators ('M-estimators') as their average objective is maximized by some parameters and minimized by others. This class subsumes the continuous-updating Generalized Method of Moments, Generative Adversarial Networks and more recent proposals in machine learning and econometrics. In these examples, researchers state which aspects of the problem may in principle be used for estimation, and an adversary learns how to emphasize them optimally. We derive the convergence rates of A-estimators under pointwise and partial identification, and the normality of functionals of their parameters. Unknown functions may be approximated via sieves such as deep neural networks, for which we provide simplified low-level conditions. As a corollary, we obtain the normality of neural-net M-estimators, overcoming technical issues previously identified by the literature. Our theory yields novel results about a variety of A-estimators, providing intuition and formal justification for their success in recent applications.

PDE discovery shows promise for uncovering predictive models of complex physical systems but has difficulty when measurements are sparse and noisy. We introduce a new approach for PDE discovery that uses two Rational Neural Networks and a principled sparse regression algorithm to identify the hidden dynamics that govern a system's response. The first network learns the system response function, while the second learns a hidden PDE describing the system's evolution. We then use a parameter-free sparse regression algorithm to extract a human-readable form of the hidden PDE from the second network. We implement our approach in an open-source library called PDE-READ. Our approach successfully identifies the governing PDE in six benchmark examples. We demonstrate that our approach is robust to both sparsity and noise and it, therefore, holds promise for application to real-world observational data.

In probably approximately correct (PAC) reinforcement learning (RL), an agent is required to identify an $\epsilon$-optimal policy with probability $1-\delta$. While minimax optimal algorithms exist for this problem, its instance-dependent complexity remains elusive in episodic Markov decision processes (MDPs). In this paper, we propose the first (nearly) matching upper and lower bounds on the sample complexity of PAC RL in deterministic episodic MDPs with finite state and action spaces. In particular, our bounds feature a new notion of sub-optimality gap for state-action pairs that we call the deterministic return gap. While our instance-dependent lower bound is written as a linear program, our algorithms are very simple and do not require solving such an optimization problem during learning. Their design and analyses employ novel ideas, including graph-theoretical concepts such as minimum flows and maximum cuts, which we believe to shed new light on this problem.

We introduce a new library named abess that implements a unified framework of best-subset selection for solving diverse machine learning problems, e.g., linear regression, classification, and principal component analysis. Particularly, the abess certifiably gets the optimal solution within polynomial times with high probability under the linear model. Our efficient implementation allows abess to attain the solution of best-subset selection problems as fast as or even 20x faster than existing competing variable (model) selection toolboxes. Furthermore, it supports common variants like best group subset selection and $\ell_2$ regularized best-subset selection. The core of the library is programmed in C++. For ease of use, a Python library is designed for conveniently integrating with scikit-learn, and it can be installed from the Python library Index. In addition, a user-friendly R library is available at the Comprehensive R Archive Network. The source code is available at: https://github.com/abess-team/abess.

Federated learning allows clients to collaboratively learn statistical models while keeping their data local. Federated learning was originally used to train a unique global model to be served to all clients, but this approach might be sub-optimal when clients' local data distributions are heterogeneous. In order to tackle this limitation, recent personalized federated learning methods train a separate model for each client while still leveraging the knowledge available at other clients. In this work, we exploit the ability of deep neural networks to extract high quality vectorial representations (embeddings) from non-tabular data, e.g., images and text, to propose a personalization mechanism based on local memorization. Personalization is obtained by interpolating a collectively trained global model with a local $k$-nearest neighbors (kNN) model based on the shared representation provided by the global model. We provide generalization bounds for the proposed approach in the case of binary classification, and we show on a suite of federated datasets that this approach achieves significantly higher accuracy and fairness than state-of-the-art methods.

Obtaining reliable, adaptive confidence sets for prediction functions (hypotheses) is a central challenge in sequential decision-making tasks, such as bandits and model-based reinforcement learning. These confidence sets typically rely on prior assumptions on the hypothesis space, e.g., the known kernel of a Reproducing Kernel Hilbert Space (RKHS). Hand-designing such kernels is error prone, and misspecification may lead to poor or unsafe performance. In this work, we propose to meta-learn a kernel from offline data (Meta-KeL). For the case where the unknown kernel is a combination of known base kernels, we develop an estimator based on structured sparsity. Under mild conditions, we guarantee that our estimated RKHS yields valid confidence sets that, with increasing amounts of offline data, become as tight as those given the true unknown kernel. We demonstrate our approach on the kernelized bandit problem (a.k.a.~Bayesian optimization), where we establish regret bounds competitive with those given the true kernel. We also empirically evaluate the effectiveness of our approach on a Bayesian optimization task.

Learning the principal eigenfunctions of an integral operator defined by a kernel and a data distribution is at the core of many machine learning problems. Traditional nonparametric solutions based on the Nystr{\"o}m formula suffer from scalability issues. Recent work has resorted to a parametric approach, i.e., training neural networks to approximate the eigenfunctions. However, the existing method relies on an expensive orthogonalization step and is difficult to implement. We show that these problems can be fixed by using a new series of objective functions that generalizes the EigenGame~\citep{gemp2020eigengame} to function space. We test our method on a variety of supervised and unsupervised learning problems and show it provides accurate approximations to the eigenfunctions of polynomial, radial basis, neural network Gaussian process, and neural tangent kernels. Finally, we demonstrate our method can scale up linearised Laplace approximation of deep neural networks to modern image classification datasets through approximating the Gauss-Newton matrix. Code is available at \url{https://github.com/thudzj/neuraleigenfunction}.

Conditional generative models aim to learn the underlying joint distribution of data and labels to achieve conditional data generation. Among them, the auxiliary classifier generative adversarial network (AC-GAN) has been widely used, but suffers from the problem of low intra-class diversity of the generated samples. The fundamental reason pointed out in this paper is that the classifier of AC-GAN is generator-agnostic, which therefore cannot provide informative guidance for the generator to approach the joint distribution, resulting in a minimization of the conditional entropy that decreases the intra-class diversity. Motivated by this understanding, we propose a novel conditional GAN with an auxiliary discriminative classifier (ADC-GAN) to resolve the above problem. Specifically, the proposed auxiliary discriminative classifier becomes generator-aware by recognizing the class-labels of the real data and the generated data discriminatively. Our theoretical analysis reveals that the generator can faithfully learn the joint distribution even without the original discriminator, making the proposed ADC-GAN robust to the value of the coefficient hyperparameter and the selection of the GAN loss, and stable during training. Extensive experimental results on synthetic and real-world datasets demonstrate the superiority of ADC-GAN in conditional generative modeling compared to state-of-the-art classifier-based and projection-based conditional GANs.

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes accurate backmapping, i.e., restoring fine-grained (FG) coordinates from CG coordinates, a long-standing challenge. Inspired by the recent progress in generative models and equivariant networks, we propose a novel model that rigorously embeds the vital probabilistic nature and geometric consistency requirements of the backmapping transformation. Our model encodes the FG uncertainties into an invariant latent space and decodes them back to FG geometries via equivariant convolutions. To standardize the evaluation of this domain, we provide three comprehensive benchmarks based on molecular dynamics trajectories. Experiments show that our approach always recovers more realistic structures and outperforms existing data-driven methods with a significant margin.

Commonsense causality reasoning (CCR) aims at identifying plausible causes and effects in natural language descriptions that are deemed reasonable by an average person. Although being of great academic and practical interest, this problem is still shadowed by the lack of a well-posed theoretical framework; existing work usually relies on deep language models wholeheartedly, and is potentially susceptible to confounding co-occurrences. Motivated by classical causal principles, we articulate the central question of CCR and draw parallels between human subjects in observational studies and natural languages to adopt CCR to the potential-outcomes framework, which is the first such attempt for commonsense tasks. We propose a novel framework, ROCK, to Reason O(A)bout Commonsense K(C)ausality, which utilizes temporal signals as incidental supervision, and balances confounding effects using temporal propensities that are analogous to propensity scores. The ROCK implementation is modular and zero-shot, and demonstrates good CCR capabilities.

Generative adversarial networks (GANs), a class of distribution-learning methods based on a two-player game between a generator and a discriminator, can generally be formulated as a minmax problem based on the variational representation of a divergence between the unknown and the generated distributions. We introduce structure-preserving GANs as a data-efficient framework for learning distributions with additional structure such as group symmetry, by developing new variational representations for divergences. Our theory shows that we can reduce the discriminator space to its projection on the invariant discriminator space, using the conditional expectation with respect to the sigma-algebra associated to the underlying structure. In addition, we prove that the discriminator space reduction must be accompanied by a careful design of structured generators, as flawed designs may easily lead to a catastrophic "mode collapse" of the learned distribution. We contextualize our framework by building symmetry-preserving GANs for distributions with intrinsic group symmetry, and demonstrate that both players, namely the equivariant generator and invariant discriminator, play important but distinct roles in the learning process. Empirical experiments and ablation studies across a broad range of data sets, including real-world medical imaging, validate our theory, and show our proposed methods achieve significantly improved sample fidelity and diversity -- almost an order of magnitude measured in Fr\'echet Inception Distance -- especially in the small data regime.

Accurate control of robots in the real world requires a control system that is capable of taking into account the kinodynamic interactions of the robot with its environment. At high speeds, the dependence of the movement of the robot on these kinodynamic interactions becomes more pronounced, making high-speed, accurate robot control a challenging problem. Previous work has shown that learning the inverse kinodynamics (IKD) of the robot can be helpful for high-speed robot control. However a learned inverse kinodynamic model can only be applied to a limited class of control problems, and different control problems require the learning of a new IKD model. In this work we present a new formulation for accurate, high-speed robot control that makes use of a learned forward kinodynamic (FKD) model and non-linear least squares optimization. By nature of the formulation, this approach is extensible to a wide array of control problems without requiring the retraining of a new model. We demonstrate the ability of this approach to accurately control a scale one-tenth robot car at high speeds, and show improved results over baselines.  ( 2 min )

Given a partition of a graph into connected components, the membership oracle asserts whether any two vertices of the graph lie in the same component or not. We prove that for $n\ge k\ge 2$, learning the components of an $n$-vertex hidden graph with $k$ components requires at least $(k-1)n-\binom k2$ membership queries. Our result improves on the best known information-theoretic bound of $\Omega(n\log k)$ queries, and exactly matches the query complexity of the algorithm introduced by [Reyzin and Srivastava, 2007] for this problem. Additionally, we introduce an oracle, with access to which one can learn the number of components of $G$ in asymptotically fewer queries than learning the full partition, thus answering another question posed by the same authors. Lastly, we introduce a more applicable version of this oracle, and prove asymptotically tight bounds of $\widetilde\Theta(m)$ queries for both learning and verifying an $m$-edge hidden graph $G$ using it.

Stochastic gradient descent (SGD) is widely used in deep learning due to its computational efficiency, but a complete understanding of why SGD performs so well remains a major challenge. It has been observed empirically that most eigenvalues of the Hessian of the loss functions on the loss landscape of over-parametrized deep neural networks are close to zero, while only a small number of eigenvalues are large. Zero eigenvalues indicate zero diffusion along the corresponding directions. This indicates that the process of minima selection mainly happens in the relatively low-dimensional subspace corresponding to the top eigenvalues of the Hessian. Although the parameter space is very high-dimensional, these findings seems to indicate that the SGD dynamics may mainly live on a low-dimensional manifold. In this paper, we pursue a truly data driven approach to the problem of getting a potentially deeper understanding of the high-dimensional parameter surface, and in particular, of the landscape traced out by SGD by analyzing the data generated through SGD, or any other optimizer for that matter, in order to possibly discover (local) low-dimensional representations of the optimization landscape. As our vehicle for the exploration, we use diffusion maps introduced by R. Coifman and coauthors.

Recently, deep neural networks have gained increasing popularity in the field of time series forecasting. A primary reason for their success is their ability to effectively capture complex temporal dynamics across multiple related time series. The advantages of these deep forecasters only start to emerge in the presence of a sufficient amount of data. This poses a challenge for typical forecasting problems in practice, where there is a limited number of time series or observations per time series, or both. To cope with this data scarcity issue, we propose a novel domain adaptation framework, Domain Adaptation Forecaster (DAF). DAF leverages statistical strengths from a relevant domain with abundant data samples (source) to improve the performance on the domain of interest with limited data (target). In particular, we use an attention-based shared module with a domain discriminator across domains and private modules for individual domains. We induce domain-invariant latent features (queries and keys) and retrain domain-specific features (values) simultaneously to enable joint training of forecasters on source and target domains. A main insight is that our design of aligning keys allows the target domain to leverage source time series even with different characteristics. Extensive experiments on various domains demonstrate that our proposed method outperforms state-of-the-art baselines on synthetic and real-world datasets, and ablation studies verify the effectiveness of our design choices.

The indexing algorithms for the high-dimensional nearest neighbor search (NNS) with the best worst-case guarantees are based on the randomized Locality Sensitive Hashing (LSH), and its derivatives. In practice, many heuristic approaches exist to "learn" the best indexing method in order to speed-up NNS, crucially adapting to the structure of the given dataset. Oftentimes, these heuristics outperform the LSH-based algorithms on real datasets, but, almost always, come at the cost of losing the guarantees of either correctness or robust performance on adversarial queries, or apply to datasets with an assumed extra structure/model. In this paper, we design an NNS algorithm for the Hamming space that has worst-case guarantees essentially matching that of theoretical algorithms, while optimizing the hashing to the structure of the dataset (think instance-optimal algorithms) for performance on the minimum-performing query. We evaluate the algorithm's ability to optimize for a given dataset both theoretically and practically. On the theoretical side, we exhibit a natural setting (dataset model) where our algorithm is much better than the standard theoretical one. On the practical side, we run experiments that show that our algorithm has a 1.8x and 2.1x better recall on the worst-performing queries to the MNIST and ImageNet datasets.

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

Nested dropout is a variant of dropout operation that is able to order network parameters or features based on the pre-defined importance during training. It has been explored for: I. Constructing nested nets: the nested nets are neural networks whose architectures can be adjusted instantly during testing time, e.g., based on computational constraints. The nested dropout implicitly ranks the network parameters, generating a set of sub-networks such that any smaller sub-network forms the basis of a larger one. II. Learning ordered representation: the nested dropout applied to the latent representation of a generative model (e.g., auto-encoder) ranks the features, enforcing explicit order of the dense representation over dimensions. However, the dropout rate is fixed as a hyper-parameter during the whole training process. For nested nets, when network parameters are removed, the performance decays in a human-specified trajectory rather than in a trajectory learned from data. For generative models, the importance of features is specified as a constant vector, restraining the flexibility of representation learning. To address the problem, we focus on the probabilistic counterpart of the nested dropout. We propose a variational nested dropout (VND) operation that draws samples of multi-dimensional ordered masks at a low cost, providing useful gradients to the parameters of nested dropout. Based on this approach, we design a Bayesian nested neural network that learns the order knowledge of the parameter distributions. We further exploit the VND under different generative models for learning ordered latent distributions. In experiments, we show that the proposed approach outperforms the nested network in terms of accuracy, calibration, and out-of-domain detection in classification tasks. It also outperforms the related generative models on data generation tasks.

The rise of algorithmic decision-making has spawned much research on fair machine learning (ML). Financial institutions use ML for building risk scorecards that support a range of credit-related decisions. Yet, the literature on fair ML in credit scoring is scarce. The paper makes three contributions. First, we revisit statistical fairness criteria and examine their adequacy for credit scoring. Second, we catalog algorithmic options for incorporating fairness goals in the ML model development pipeline. Last, we empirically compare different fairness processors in a profit-oriented credit scoring context using real-world data. The empirical results substantiate the evaluation of fairness measures, identify suitable options to implement fair credit scoring, and clarify the profit-fairness trade-off in lending decisions. We find that multiple fairness criteria can be approximately satisfied at once and recommend separation as a proper criterion for measuring the fairness of a scorecard. We also find fair in-processors to deliver a good balance between profit and fairness and show that algorithmic discrimination can be reduced to a reasonable level at a relatively low cost. The codes corresponding to the paper are available on GitHub.

State-of-the-art deep learning methods achieve human-like performance on many tasks, but make errors nevertheless. Characterizing these errors in easily interpretable terms gives insight into whether a classifier is prone to making systematic errors, but also gives a way to act and improve the classifier. We propose to discover those feature-value combinations (i.e., patterns) that strongly correlate with correct resp. erroneous predictions to obtain a global and interpretable description for arbitrary classifiers. We show this is an instance of the more general label description problem, which we formulate in terms of the Minimum Description Length principle. To discover a good pattern set, we develop the efficient Premise algorithm. Through an extensive set of experiments we show it performs very well in practice on both synthetic and real-world data. Unlike existing solutions, it ably recovers ground truth patterns, even on highly imbalanced data over many features. Through two case studies on Visual Question Answering and Named Entity Recognition, we confirm that Premise gives clear and actionable insight into the systematic errors made by modern NLP classifiers.

Money laundering is a global problem that concerns legitimizing proceeds from serious felonies (1.7-4 trillion euros annually) such as drug dealing, human trafficking, or corruption. The anti-money laundering systems deployed by financial institutions typically comprise rules aligned with regulatory frameworks. Human investigators review the alerts and report suspicious cases. Such systems suffer from high false-positive rates, undermining their effectiveness and resulting in high operational costs. We propose a machine learning triage model, which complements the rule-based system and learns to predict the risk of an alert accurately. Our model uses both entity-centric engineered features and attributes characterizing inter-entity relations in the form of graph-based features. We leverage time windows to construct the dynamic graph, optimizing for time and space efficiency. We validate our model on a real-world banking dataset and show how the triage model can reduce the number of false positives by 80% while detecting over 90% of true positives. In this way, our model can significantly improve anti-money laundering operations.

Detecting abrupt changes in the community structure of a network from noisy observations is a fundamental problem in statistics and machine learning. This paper presents an online change detection algorithm called Spectral-CUSUM to detect unknown network structure changes through a generalized likelihood ratio statistic. We characterize the average run length (ARL) and the expected detection delay (EDD) of the Spectral-CUSUM procedure and prove its asymptotic optimality. Finally, we demonstrate the good performance of the Spectral-CUSUM procedure and compare it with several baseline methods using simulations and real data examples on seismic event detection using sensor network data.

Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can learn higher-order structural information by stacking more layers but can not deal with large depth due to the over-smoothing issue. Second, it is not easy to apply these methods on large graphs due to the expensive computation cost and high memory usage. In this paper, we present node-adaptive feature smoothing (NAFS), a simple non-parametric method that constructs node representations without parameter learning. NAFS first extracts the features of each node with its neighbors of different hops by feature smoothing, and then adaptively combines the smoothed features. Besides, the constructed node representation can further be enhanced by the ensemble of smoothed features extracted via different smoothing strategies. We conduct experiments on four benchmark datasets on two different application scenarios: node clustering and link prediction. Remarkably, NAFS with feature ensemble outperforms the state-of-the-art GNNs on these tasks and mitigates the aforementioned two limitations of most learning-based GNN counterparts.  ( 2 min )

The cross section is one of the most important physical quantities in high-energy physics and the most time consuming to compute. While machine learning has proven to be highly successful in numerical calculations in high-energy physics, analytical calculations using machine learning are still in their infancy. In this work, we use a sequence-to-sequence transformer model to compute a key element of the cross section calculation, namely, the squared amplitude of an interaction. We show that a transformer model is able to predict correctly 89.0% and 99.4% of squared amplitudes of QCD and QED processes, respectively. We discuss the performance of the current model, its limitations and possible future directions for this work.

Machine learning systems often do not share the same inductive biases as humans and, as a result, extrapolate or generalize in ways that are inconsistent with our expectations. The trade-off between exemplar- and rule-based generalization has been studied extensively in cognitive psychology; in this work, we present a protocol inspired by these experimental approaches to probe the inductive biases that control this tradeoff in category-learning systems. We isolate two such inductive biases: feature-level bias (differences in which features are more readily learned) and exemplar or rule bias (differences in how these learned features are used for generalization). We find that standard neural network models are feature-biased and exemplar-based, and discuss the implications of these findings for machine learning research on systematic generalization, fairness, and data augmentation.

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree. Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.

In deep learning, models typically reuse the same parameters for all inputs. Mixture of Experts (MoE) defies this and instead selects different parameters for each incoming example. The result is a sparsely-activated model -- with outrageous numbers of parameters -- but a constant computational cost. However, despite several notable successes of MoE, widespread adoption has been hindered by complexity, communication costs and training instability -- we address these with the Switch Transformer. We simplify the MoE routing algorithm and design intuitive improved models with reduced communication and computational costs. Our proposed training techniques help wrangle the instabilities and we show large sparse models may be trained, for the first time, with lower precision (bfloat16) formats. We design models based off T5-Base and T5-Large to obtain up to 7x increases in pre-training speed with the same computational resources. These improvements extend into multilingual settings where we measure gains over the mT5-Base version across all 101 languages. Finally, we advance the current scale of language models by pre-training up to trillion parameter models on the "Colossal Clean Crawled Corpus" and achieve a 4x speedup over the T5-XXL model.

Non-parametric two-sample tests (TSTs) that judge whether two sets of samples are drawn from the same distribution, have been widely used in the analysis of critical data. People tend to employ TSTs as trusted basic tools and rarely have any doubt about their reliability. This paper systematically uncovers the failure mode of non-parametric TSTs through adversarial attacks and then proposes corresponding defense strategies. First, we theoretically show that an adversary can upper-bound the distributional shift which guarantees the attack's invisibility. Furthermore, we theoretically find that the adversary can also degrade the lower bound of a TST's test power, which enables us to iteratively minimize the test criterion in order to search for adversarial pairs. To enable TST-agnostic attacks, we propose an ensemble attack (EA) framework that jointly minimizes the different types of test criteria. Second, to robustify TSTs, we propose a max-min optimization that iteratively generates adversarial pairs to train the deep kernels. Extensive experiments on both simulated and real-world datasets validate the adversarial vulnerabilities of non-parametric TSTs and the effectiveness of our proposed defense. Source code is available at https://github.com/GodXuxilie/Robust-TST.git.

Autonomous agents have made great strides in specialist domains like Atari games and Go. However, they typically learn tabula rasa in isolated environments with limited and manually conceived objectives, thus failing to generalize across a wide spectrum of tasks and capabilities. Inspired by how humans continually learn and adapt in the open world, we advocate a trinity of ingredients for building generalist agents: 1) an environment that supports a multitude of tasks and goals, 2) a large-scale database of multimodal knowledge, and 3) a flexible and scalable agent architecture. We introduce MineDojo, a new framework built on the popular Minecraft game that features a simulation suite with thousands of diverse open-ended tasks and an internet-scale knowledge base with Minecraft videos, tutorials, wiki pages, and forum discussions. Using MineDojo's data, we propose a novel agent learning algorithm that leverages large pre-trained video-language models as a learned reward function. Our agent is able to solve a variety of open-ended tasks specified in free-form language without any manually designed dense shaping reward. We open-source the simulation suite and knowledge bases (https://minedojo.org) to promote research towards the goal of generally capable embodied agents.

Policy Gradient (PG) algorithms are among the best candidates for the much-anticipated applications of reinforcement learning to real-world control tasks, such as robotics. However, the trial-and-error nature of these methods poses safety issues whenever the learning process itself must be performed on a physical system or involves any form of human-computer interaction. In this paper, we address a specific safety formulation, where both goals and dangers are encoded in a scalar reward signal and the learning agent is constrained to never worsen its performance, measured as the expected sum of rewards. By studying actor-only policy gradient from a stochastic optimization perspective, we establish improvement guarantees for a wide class of parametric policies, generalizing existing results on Gaussian policies. This, together with novel upper bounds on the variance of policy gradient estimators, allows us to identify meta-parameter schedules that guarantee monotonic improvement with high probability. The two key meta-parameters are the step size of the parameter updates and the batch size of the gradient estimates. Through a joint, adaptive selection of these meta-parameters, we obtain a policy gradient algorithm with monotonic improvement guarantees.

This work examines the deep disconnect between existing theoretical analyses of gradient-based algorithms and the practice of training deep neural networks. Specifically, we provide numerical evidence that in large-scale neural network training (e.g., ImageNet + ResNet101, and WT103 + TransformerXL models), the neural network's weights do not converge to stationary points where the gradient of the loss is zero. Remarkably, however, we observe that even though the weights do not converge to stationary points, the progress in minimizing the loss function halts and training loss stabilizes. Inspired by this observation, we propose a new perspective based on ergodic theory of dynamical systems to explain it. Rather than studying the evolution of weights, we study the evolution of the distribution of weights. We prove convergence of the distribution of weights to an approximate invariant measure, thereby explaining how the training loss can stabilize without weights necessarily converging to stationary points. We further discuss how this perspective can better align optimization theory with empirical observations in machine learning practice.

Factorization machines (FMs) are widely used in recommender systems due to their adaptability and ability to learn from sparse data. However, for the ubiquitous non-interactive features in sparse data, existing FMs can only estimate the parameters corresponding to these features via the inner product of their embeddings. Undeniably, they cannot learn the direct interactions of these features, which limits the model's expressive power. To this end, we first present MixFM, inspired by Mixup, to generate auxiliary training data to boost FMs. Unlike existing augmentation strategies that require labor costs and expertise to collect additional information such as position and fields, these extra data generated by MixFM only by the convex combination of the raw ones without any professional knowledge support. More importantly, if the parent samples to be mixed have non-interactive features, MixFM will establish their direct interactions. Second, considering that MixFM may generate redundant or even detrimental instances, we further put forward a novel Factorization Machine powered by Saliency-guided Mixup (denoted as SMFM). Guided by the customized saliency, SMFM can generate more informative neighbor data. Through theoretical analysis, we prove that the proposed methods minimize the upper bound of the generalization error, which hold a beneficial effect on enhancing FMs. Significantly, we give the first generalization bound of FM, implying the generalization requires more data and a smaller embedding size under the sufficient representation capability. Finally, extensive experiments on five datasets confirm that our approaches are superior to baselines. Besides, the results show that "poisoning" mixed data is likewise beneficial to the FM variants.  ( 3 min )

Federated learning has attracted increasing attention to building models without accessing the raw user data, especially in healthcare. In real applications, different federations can seldom work together due to possible reasons such as data heterogeneity and distrust/inexistence of the central server. In this paper, we propose a novel framework called MetaFed to facilitate trustworthy FL between different federations. MetaFed obtains a personalized model for each federation without a central server via the proposed Cyclic Knowledge Distillation. Specifically, MetaFed treats each federation as a meta distribution and aggregates knowledge of each federation in a cyclic manner. The training is split into two parts: common knowledge accumulation and personalization. Comprehensive experiments on three benchmarks demonstrate that MetaFed without a server achieves better accuracy compared to state-of-the-art methods (e.g., 10%+ accuracy improvement compared to the baseline for PAMAP2) with fewer communication costs.  ( 2 min )

With the development of graph kernels and graph representation learning, many superior methods have been proposed to handle scalability and oversmoothing issues on graph structure learning. However, most of those strategies are designed based on practical experience rather than theoretical analysis. In this paper, we use a particular dummy node connecting to all existing vertices without affecting original vertex and edge properties. We further prove that such the dummy node can help build an efficient monomorphic edge-to-vertex transform and an epimorphic inverse to recover the original graph back. It also indicates that adding dummy nodes can preserve local and global structures for better graph representation learning. We extend graph kernels and graph neural networks with dummy nodes and conduct experiments on graph classification and subgraph isomorphism matching tasks. Empirical results demonstrate that taking graphs with dummy nodes as input significantly boosts graph structure learning, and using their edge-to-vertex graphs can also achieve similar results. We also discuss the gain of expressive power from the dummy in neural networks.  ( 2 min )

Recently, neural architecture search (NAS) has been applied to automate the design of neural networks in real-world applications. A large number of algorithms have been developed to improve the search cost or the performance of the final selected architectures in NAS. Unfortunately, these NAS algorithms aim to select only one single well-performing architecture from their search spaces and thus have overlooked the capability of neural network ensemble (i.e., an ensemble of neural networks with diverse architectures) in achieving improved performance over a single final selected architecture. To this end, we introduce a novel neural ensemble search algorithm, called neural ensemble search via Bayesian sampling (NESBS), to effectively and efficiently select well-performing neural network ensembles from a NAS search space. In our extensive experiments, NESBS algorithm is shown to be able to achieve improved performance over state-of-the-art NAS algorithms while incurring a comparable search cost, thus indicating the superior performance of our NESBS algorithm over these NAS algorithms in practice.

Using the framework of boosting, we prove that all impurity-based decision tree learning algorithms, including the classic ID3, C4.5, and CART, are highly noise tolerant. Our guarantees hold under the strongest noise model of nasty noise, and we provide near-matching upper and lower bounds on the allowable noise rate. We further show that these algorithms, which are simple and have long been central to everyday machine learning, enjoy provable guarantees in the noisy setting that are unmatched by existing algorithms in the theoretical literature on decision tree learning. Taken together, our results add to an ongoing line of research that seeks to place the empirical success of these practical decision tree algorithms on firm theoretical footing.

We study two model selection settings in stochastic linear bandits (LB). In the first setting, which we refer to as feature selection, the expected reward of the LB problem is in the linear span of at least one of $M$ feature maps (models). In the second setting, the reward parameter of the LB problem is arbitrarily selected from $M$ models represented as (possibly) overlapping balls in $\mathbb R^d$. However, the agent only has access to misspecified models, i.e.,~estimates of the centers and radii of the balls. We refer to this setting as parameter selection. For each setting, we develop and analyze a computationally efficient algorithm that is based on a reduction from bandits to full-information problems. This allows us to obtain regret bounds that are not worse (up to a $\sqrt{\log M}$ factor) than the case where the true model is known. This is the best-reported dependence on the number of models $M$ in these settings. Finally, we empirically show the effectiveness of our algorithms using synthetic and real-world experiments.

Although deep learning has made significant progress on fixed large-scale datasets, it typically encounters challenges regarding improperly detecting unknown/unseen classes in the open-world scenario, over-parametrized, and overfitting small samples. Since biological systems can overcome the above difficulties very well, individuals inherit an innate gene from collective creatures that have evolved over hundreds of millions of years and then learn new skills through few examples. Inspired by this, we propose a practical collective-individual paradigm where an evolution (expandable) network is trained on sequential tasks and then recognize unknown classes in real-world. Moreover, the learngene, i.e., the gene for learning initialization rules of the target model, is proposed to inherit the meta-knowledge from the collective model and reconstruct a lightweight individual model on the target task. Particularly, a novel criterion is proposed to discover learngene in the collective model, according to the gradient information. Finally, the individual model is trained only with few samples on the target learning tasks. We demonstrate the effectiveness of our approach in an extensive empirical study and theoretical analysis.

Many variants of the Wasserstein distance have been introduced to reduce its original computational burden. In particular the Sliced-Wasserstein distance (SW), which leverages one-dimensional projections for which a closed-form solution of the Wasserstein distance is available, has received a lot of interest. Yet, it is restricted to data living in Euclidean spaces, while the Wasserstein distance has been studied and used recently on manifolds. We focus more specifically on the sphere, for which we define a novel SW discrepancy, which we call spherical Sliced-Wasserstein, making a first step towards defining SW discrepancies on manifolds. Our construction is notably based on closed-form solutions of the Wasserstein distance on the circle, together with a new spherical Radon transform. Along with efficient algorithms and the corresponding implementations, we illustrate its properties in several machine learning use cases where spherical representations of data are at stake: density estimation on the sphere, variational inference or hyperspherical auto-encoders.

Deep neural networks usually perform poorly when the training dataset suffers from extreme class imbalance. Recent studies found that directly training with out-of-distribution data (i.e., open-set samples) in a semi-supervised manner would harm the generalization performance. In this work, we theoretically show that out-of-distribution data can still be leveraged to augment the minority classes from a Bayesian perspective. Based on this motivation, we propose a novel method called Open-sampling, which utilizes open-set noisy labels to re-balance the class priors of the training dataset. For each open-set instance, the label is sampled from our pre-defined distribution that is complementary to the distribution of original class priors. We empirically show that Open-sampling not only re-balances the class priors but also encourages the neural network to learn separable representations. Extensive experiments demonstrate that our proposed method significantly outperforms existing data re-balancing methods and can boost the performance of existing state-of-the-art methods.

We study the tensor-on-tensor regression, where the goal is to connect tensor responses to tensor covariates with a low Tucker rank parameter tensor/matrix without the prior knowledge of its intrinsic rank. We propose the Riemannian gradient descent (RGD) and Riemannian Gauss-Newton (RGN) methods and cope with the challenge of unknown rank by studying the effect of rank over-parameterization. We provide the first convergence guarantee for the general tensor-on-tensor regression by showing that RGD and RGN respectively converge linearly and quadratically to a statistically optimal estimate in both rank correctly-parameterized and over-parameterized settings. Our theory reveals an intriguing phenomenon: Riemannian optimization methods naturally adapt to over-parameterization without modifications to their implementation. We also give the first rigorous evidence for the statistical-computational gap in scalar-on-tensor regression under the low-degree polynomials framework. Our theory demonstrates a ``blessing of statistical-computational gap" phenomenon: in a wide range of scenarios in tensor-on-tensor regression for tensors of order three or higher, the computationally required sample size matches what is needed by moderate rank over-parameterization when considering computationally feasible estimators, while there are no such benefits in the matrix settings. This shows moderate rank over-parameterization is essentially ``cost-free" in terms of sample size in tensor-on-tensor regression of order three or higher. Finally, we conduct simulation studies to show the advantages of our proposed methods and to corroborate our theoretical findings.

I consider a setting where reviewers offer very noisy scores for several items for the selection of high-quality ones (e.g., peer review of large conference proceedings), whereas the owner of these items knows the true underlying scores but prefers not to provide this information. To address this withholding of information, in this paper, I introduce the Isotonic Mechanism, a simple and efficient approach to improving imprecise raw scores by leveraging certain information that the owner is incentivized to provide. This mechanism takes the ranking of the items from best to worst provided by the owner as input, in addition to the raw scores provided by the reviewers. It reports the adjusted scores for the items by solving a convex optimization problem. Under certain conditions, I show that the owner's optimal strategy is to honestly report the true ranking of the items to her best knowledge in order to maximize the expected utility. Moreover, I prove that the adjusted scores provided by this owner-assisted mechanism are significantly more accurate than the raw scores provided by the reviewers. This paper concludes with several extensions of the Isotonic Mechanism and some refinements of the mechanism for practical consideration.

Disinformation refers to false information deliberately spread to influence the general public, and the negative impact of disinformation on society can be observed in numerous issues, such as political agendas and manipulating financial markets. In this paper, we identify prevalent challenges and advances related to automated disinformation detection from multiple aspects and propose a comprehensive and explainable disinformation detection framework called DISCO. It leverages the heterogeneity of disinformation and addresses the opaqueness of prediction. Then we provide a demonstration of DISCO on a real-world fake news detection task with satisfactory detection accuracy and explanation. The demo video and source code of DISCO is now publicly available. We expect that our demo could pave the way for addressing the limitations of identification, comprehension, and explainability as a whole.

Decisions in organizations are about evaluating alternatives and choosing the one that would best serve organizational goals. To the extent that the evaluation of alternatives could be formulated as a predictive task with appropriate metrics, machine learning algorithms are increasingly being used to improve the efficiency of the process. Explanations help to facilitate communication between the algorithm and the human decision-maker, making it easier for the latter to interpret and make decisions on the basis of predictions by the former. Feature-based explanations' semantics of causal models, however, induce leakage from the decision-maker's prior beliefs. Our findings from a field experiment demonstrate empirically how this leads to confirmation bias and disparate impact on the decision-maker's confidence in the predictions. Such differences can lead to sub-optimal and biased decision outcomes.

Many problems in machine learning can be formulated as optimizing a convex functional over a space of measures. This paper studies the convergence of the mirror descent algorithm in this infinite-dimensional setting. Defining Bregman divergences through directional derivatives, we derive the convergence of the scheme for relatively smooth and strongly convex pairs of functionals. Applying our result to joint distributions and the Kullback--Leibler (KL) divergence, we show that Sinkhorn's primal iterations for entropic optimal transport in the continuous setting correspond to a mirror descent, and we obtain a new proof of its (sub)linear convergence. We also show that Expectation Maximization (EM) can always formally be written as a mirror descent, and, when optimizing on the latent distribution while fixing the mixtures, we derive sublinear rates of convergence.

We describe a novel lossy compression approach called DiffC which is based on unconditional diffusion generative models. Unlike modern compression schemes which rely on transform coding and quantization to restrict the transmitted information, DiffC relies on the efficient communication of pixels corrupted by Gaussian noise. We implement a proof of concept and find that it works surprisingly well despite the lack of an encoder transform, outperforming the state-of-the-art generative compression method HiFiC on ImageNet 64x64. DiffC only uses a single model to encode and denoise corrupted pixels at arbitrary bitrates. The approach further provides support for progressive coding, that is, decoding from partial bit streams. We perform a rate-distortion analysis to gain a deeper understanding of its performance, providing analytical results for multivariate Gaussian data as well as initial results for general distributions. Furthermore, we show that a flow-based reconstruction achieves a 3 dB gain over ancestral sampling at high bitrates.

Data exploration is an important step of every data science and machine learning project, including those involving textual data. We provide a novel language tool, in the form of a publicly available Python library for extracting patterns from textual data. The library integrates a first public implementation of the existing GrASP algorithm. It allows users to extract patterns using a number of general-purpose built-in linguistic attributes (such as hypernyms, part-of-speech tags, and syntactic dependency tags), as envisaged for the original algorithm, as well as domain-specific custom attributes which can be incorporated into the library by implementing two functions. The library is equipped with a web-based interface empowering human users to conveniently explore data via the extracted patterns, using complementary pattern-centric and example-centric views: the former includes a reading in natural language and statistics of each extracted pattern; the latter shows applications of each extracted pattern to training examples. We demonstrate the usefulness of the library in classification (spam detection and argument mining), model analysis (machine translation), and artifact discovery in datasets (SNLI and 20Newsgroups).

We study the problem of training personalized deep learning models in a decentralized peer-to-peer setting, focusing on the setting where data distributions differ between the clients and where different clients have different local learning tasks. We study both covariate and label shift, and our contribution is an algorithm which for each client finds beneficial collaborations based on a similarity estimate for the local task. Our method does not rely on hyperparameters which are hard to estimate, such as the number of client clusters, but rather continuously adapts to the network topology using soft cluster assignment based on a novel adaptive gossip algorithm. We test the proposed method in various settings where data is not independent and identically distributed among the clients. The experimental evaluation shows that the proposed method performs better than previous state-of-the-art algorithms for this problem setting, and handles situations well where previous methods fail.

Machine learning has demonstrated remarkable prediction accuracy over i.i.d data, but the accuracy often drops when tested with data from another distribution. In this paper, we aim to offer another view of this problem in a perspective assuming the reason behind this accuracy drop is the reliance of models on the features that are not aligned well with how a data annotator considers similar across these two datasets. We refer to these features as misaligned features. We extend the conventional generalization error bound to a new one for this setup with the knowledge of how the misaligned features are associated with the label. Our analysis offers a set of techniques for this problem, and these techniques are naturally linked to many previous methods in robust machine learning literature. We also compared the empirical strength of these methods demonstrated the performance when these previous techniques are combined, with an implementation available at https://github.com/OoDBag/WR

Supervised learning tasks such as cancer survival prediction from gigapixel whole slide images (WSIs) are a critical challenge in computational pathology that requires modeling complex features of the tumor microenvironment. These learning tasks are often solved with deep multi-instance learning (MIL) models that do not explicitly capture intratumoral heterogeneity. We develop a novel variance pooling architecture that enables a MIL model to incorporate intratumoral heterogeneity into its predictions. Two interpretability tools based on representative patches are illustrated to probe the biological signals captured by these models. An empirical study with 4,479 gigapixel WSIs from the Cancer Genome Atlas shows that adding variance pooling onto MIL frameworks improves survival prediction performance for five cancer types.

Maximizing the separation between classes constitutes a well-known inductive bias in machine learning and a pillar of many traditional algorithms. By default, deep networks are not equipped with this inductive bias and therefore many alternative solutions have been proposed through differential optimization. Current approaches tend to optimize classification and separation jointly: aligning inputs with class vectors and separating class vectors angularly. This paper proposes a simple alternative: encoding maximum separation as an inductive bias in the network by adding one fixed matrix multiplication before computing the softmax activations. The main observation behind our approach is that separation does not require optimization but can be solved in closed-form prior to training and plugged into a network. We outline a recursive approach to obtain the matrix consisting of maximally separable vectors for any number of classes, which can be added with negligible engineering effort and computational overhead. Despite its simple nature, this one matrix multiplication provides real impact. We show that our proposal directly boosts classification, long-tailed recognition, out-of-distribution detection, and open-set recognition, from CIFAR to ImageNet. We find empirically that maximum separation works best as a fixed bias; making the matrix learnable adds nothing to the performance. The closed-form implementation and code to reproduce the experiments are on github.

In supervised batch learning, the predictive normalized maximum likelihood (pNML) has been proposed as the min-max regret solution for the distribution-free setting, where no distributional assumptions are made on the data. However, the pNML is not defined for a large capacity hypothesis class as over-parameterized linear regression. For a large class, a common approach is to use regularization or a model prior. In the context of online prediction where the min-max solution is the Normalized Maximum Likelihood (NML), it has been suggested to use NML with ``luckiness'': A prior-like function is applied to the hypothesis class, which reduces its effective size. Motivated by the luckiness concept, for linear regression we incorporate a luckiness function that penalizes the hypothesis proportionally to its l2 norm. This leads to the ridge regression solution. The associated pNML with luckiness (LpNML) prediction deviates from the ridge regression empirical risk minimizer (Ridge ERM): When the test data reside in the subspace corresponding to the small eigenvalues of the empirical correlation matrix of the training data, the prediction is shifted toward 0. Our LpNML reduces the Ridge ERM error by up to 20% for the PMLB sets, and is up to 4.9% more robust in the presence of distribution shift compared to recent leading methods for UCI sets.

Two-sample tests are important in statistics and machine learning, both as tools for scientific discovery as well as to detect distribution shifts. This led to the development of many sophisticated test procedures going beyond the standard supervised learning frameworks, whose usage can require specialized knowledge about two-sample testing. We use a simple test that takes the mean discrepancy of a witness function as the test statistic and prove that minimizing a squared loss leads to a witness with optimal testing power. This allows us to leverage recent advancements in AutoML. Without any user input about the problems at hand, and using the same method for all our experiments, our AutoML two-sample test achieves competitive performance on a diverse distribution shift benchmark as well as on challenging two-sample testing problems. We provide an implementation of the AutoML two-sample test in the Python package autotst.

Code-Mixed text data consists of sentences having words or phrases from more than one language. Most multi-lingual communities worldwide communicate using multiple languages, with English usually one of them. Hinglish is a Code-Mixed text composed of Hindi and English but written in Roman script. This paper aims to determine the factors influencing the quality of Code-Mixed text data generated by the system. For the HinglishEval task, the proposed model uses multi-lingual BERT to find the similarity between synthetically generated and human-generated sentences to predict the quality of synthetically generated Hinglish sentences.

Pull requests are a key part of the collaborative software development and code review process today. However, pull requests can also slow down the software development process when the reviewer(s) or the author do not actively engage with the pull request. In this work, we design an end-to-end service, Nudge, for accelerating overdue pull requests towards completion by reminding the author or the reviewer(s) to engage with their overdue pull requests. First, we use models based on effort estimation and machine learning to predict the completion time for a given pull request. Second, we use activity detection to filter out pull requests that may be overdue, but for which sufficient action is taking place nonetheless. Lastly, we use actor identification to understand who the blocker of the pull request is and nudge the appropriate actor (author or reviewer(s)). The key novelty of Nudge is that it succeeds in reducing pull request resolution time, while ensuring that developers perceive the notifications sent as useful, at the scale of thousands of repositories. In a randomized trial on 147 repositories in use at Microsoft, Nudge was able to reduce pull request resolution time by 60% for 8,500 pull requests, when compared to overdue pull requests for which Nudge did not send a notification. Furthermore, developers receiving Nudge notifications resolved 73% of these notifications as positive. We observed similar results when scaling up the deployment of Nudge to 8,000 repositories at Microsoft, for which Nudge sent 210,000 notifications during a full year. This demonstrates Nudge's ability to scale to thousands of repositories. Lastly, our qualitative analysis of a selection of Nudge notifications indicates areas for future research, such as taking dependencies among pull requests and developer availability into account.

Many feedforward neural networks generate continuous and piecewise-linear (CPWL) mappings. Specifically, they partition the input domain into regions on which the mapping is an affine function. The number of these so-called linear regions offers a natural metric to characterize the expressiveness of CPWL mappings. Although the precise determination of this quantity is often out of reach, bounds have been proposed for specific architectures, including the well-known ReLU and Maxout networks. In this work, we propose a more general perspective and provide precise bounds on the maximal number of linear regions of CPWL networks based on three sources of expressiveness: depth, width, and activation complexity. Our estimates rely on the combinatorial structure of convex partitions and highlight the distinctive role of depth which, on its own, is able to exponentially increase the number of regions. We then introduce a complementary stochastic framework to estimate the average number of linear regions produced by a CPWL network architecture. Under reasonable assumptions, the expected density of linear regions along any 1D path is bounded by the product of depth, width, and a measure of activation complexity (up to a scaling factor). This yields an identical role to the three sources of expressiveness: no exponential growth with depth is observed anymore.

In model-based reinforcement learning, an agent can leverage a learned model to improve its way of behaving in different ways. Two prevalent approaches are decision-time planning and background planning. In this study, we are interested in understanding under what conditions and in which settings one of these two planning styles will perform better than the other in domains that require fast responses. After viewing them through the lens of dynamic programming, we first consider the classical instantiations of these planning styles and provide theoretical results and hypotheses on which one will perform better in the pure planning, planning & learning, and transfer learning settings. We then consider the modern instantiations of these planning styles and provide hypotheses on which one will perform better in the last two of the considered settings. Lastly, we perform several illustrative experiments to empirically validate both our theoretical results and hypotheses. Overall, our findings suggest that even though decision-time planning does not perform as well as background planning in their classical instantiations, in their modern instantiations, it can perform on par or better than background planning in both the planning & learning and transfer learning settings.

The collection of eye gaze information provides a window into many critical aspects of human cognition, health and behaviour. Additionally, many neuroscientific studies complement the behavioural information gained from eye tracking with the high temporal resolution and neurophysiological markers provided by electroencephalography (EEG). One of the essential eye-tracking software processing steps is the segmentation of the continuous data stream into events relevant to eye-tracking applications, such as saccades, fixations, and blinks. Here, we introduce DETRtime, a novel framework for time-series segmentation that creates ocular event detectors that do not require additionally recorded eye-tracking modality and rely solely on EEG data. Our end-to-end deep learning-based framework brings recent advances in Computer Vision to the forefront of the times series segmentation of EEG data. DETRtime achieves state-of-the-art performance in ocular event detection across diverse eye-tracking experiment paradigms. In addition to that, we provide evidence that our model generalizes well in the task of EEG sleep stage segmentation.

Remote Photoplethysmography (rPPG) is a fast, effective, inexpensive and convenient method for collecting biometric data as it enables vital signs estimation using face videos. Remote contactless medical service provisioning has proven to be a dire necessity during the COVID-19 pandemic. We propose an end-to-end framework to measure people's vital signs including Heart Rate (HR), Heart Rate Variability (HRV), Oxygen Saturation (SpO2) and Blood Pressure (BP) based on the rPPG methodology from the video of a user's face captured with a smartphone camera. We extract face landmarks with a deep learning-based neural network model in real-time. Multiple face patches also called Region-of-Interests (RoIs) are extracted by using the predicted face landmarks. Several filters are applied to reduce the noise from the RoIs in the extracted cardiac signals called Blood Volume Pulse (BVP) signal. We trained and validated machine learning models using two public rPPG datasets namely the TokyoTech rPPG and the Pulse Rate Detection (PURE) datasets, on which our models achieved the following Mean Absolute Errors (MAE): a) for HR, 1.73 and 3.95 Beats-Per-Minute (bpm) respectively, b) for HRV, 18.55 and 25.03 ms respectively, and c) for SpO2, a MAE of 1.64 on the PURE dataset. We validated our end-to-end rPPG framework, ReViSe, in real life environment, and thereby created the Video-HR dataset. Our HR estimation model achieved a MAE of 2.49 bpm on this dataset. Since no publicly available rPPG datasets existed for BP measurement with face videos, we used a dataset with signals from fingertip sensor to train our model and also created our own video dataset, Video-BP. On our Video-BP dataset, our BP estimation model achieved a MAE of 6.7 mmHg for Systolic Blood Pressure (SBP), and a MAE of 9.6 mmHg for Diastolic Blood Pressure (DBP).

We propose simple active sampling and reweighting strategies for optimizing min-max fairness that can be applied to any classification or regression model learned via loss minimization. The key intuition behind our approach is to use at each timestep a datapoint from the group that is worst off under the current model for updating the model. The ease of implementation and the generality of our robust formulation make it an attractive option for improving model performance on disadvantaged groups. For convex learning problems, such as linear or logistic regression, we provide a fine-grained analysis, proving the rate of convergence to a min-max fair solution.

Thompson Sampling (TS) is an efficient method for decision-making under uncertainty, where an action is sampled from a carefully prescribed distribution which is updated based on the observed data. In this work, we study the problem of adaptive control of stabilizable linear-quadratic regulators (LQRs) using TS, where the system dynamics are unknown. Previous works have established that $\tilde O(\sqrt{T})$ frequentist regret is optimal for the adaptive control of LQRs. However, the existing methods either work only in restrictive settings, require a priori known stabilizing controllers, or utilize computationally intractable approaches. We propose an efficient TS algorithm for the adaptive control of LQRs, TS-based Adaptive Control, TSAC, that attains $\tilde O(\sqrt{T})$ regret, even for multidimensional systems, thereby solving the open problem posed in Abeille and Lazaric (2018). TSAC does not require a priori known stabilizing controller and achieves fast stabilization of the underlying system by effectively exploring the environment in the early stages. Our result hinges on developing a novel lower bound on the probability that the TS provides an optimistic sample. By carefully prescribing an early exploration strategy and a policy update rule, we show that TS achieves order-optimal regret in adaptive control of multidimensional stabilizable LQRs. We empirically demonstrate the performance and the efficiency of TSAC in several adaptive control tasks.

Robust overfitting widely exists in adversarial training of deep networks. The exact underlying reasons for this are still not completely understood. Here, we explore the causes of robust overfitting by comparing the data distribution of \emph{non-overfit} (weak adversary) and \emph{overfitted} (strong adversary) adversarial training, and observe that the distribution of the adversarial data generated by weak adversary mainly contain small-loss data. However, the adversarial data generated by strong adversary is more diversely distributed on the large-loss data and the small-loss data. Given these observations, we further designed data ablation adversarial training and identify that some small-loss data which are not worthy of the adversary strength cause robust overfitting in the strong adversary mode. To relieve this issue, we propose \emph{minimum loss constrained adversarial training} (MLCAT): in a minibatch, we learn large-loss data as usual, and adopt additional measures to increase the loss of the small-loss data. Technically, MLCAT hinders data fitting when they become easy to learn to prevent robust overfitting; philosophically, MLCAT reflects the spirit of turning waste into treasure and making the best use of each adversarial data; algorithmically, we designed two realizations of MLCAT, and extensive experiments demonstrate that MLCAT can eliminate robust overfitting and further boost adversarial robustness.

Knowledge bases such as Wikidata amass vast amounts of named entity information, such as multilingual labels, which can be extremely useful for various multilingual and cross-lingual applications. However, such labels are not guaranteed to match across languages from an information consistency standpoint, greatly compromising their usefulness for fields such as machine translation. In this work, we investigate the application of word and sentence alignment techniques coupled with a matching algorithm to align cross-lingual entity labels extracted from Wikidata in 10 languages. Our results indicate that mapping between Wikidata's main labels stands to be considerably improved (up to $20$ points in F1-score) by any of the employed methods. We show how methods relying on sentence embeddings outperform all others, even across different scripts. We believe the application of such techniques to measure the similarity of label pairs, coupled with a knowledge base rich in high-quality entity labels, to be an excellent asset to machine translation.

Most deep metric learning (DML) methods employ a strategy that forces all positive samples to be close in the embedding space while keeping them away from negative ones. However, such a strategy ignores the internal relationships of positive (negative) samples and often leads to overfitting, especially in the presence of hard samples and mislabeled samples. In this work, we propose a simple yet effective regularization, namely Listwise Self-Distillation (LSD), which progressively distills a model's own knowledge to adaptively assign a more appropriate distance target to each sample pair in a batch. LSD encourages smoother embeddings and information mining within positive (negative) samples as a way to mitigate overfitting and thus improve generalization. Our LSD can be directly integrated into general DML frameworks. Extensive experiments show that LSD consistently boosts the performance of various metric learning methods on multiple datasets.

Federated learning is a machine learning training paradigm that enables clients to jointly train models without sharing their own localized data. However, the implementation of federated learning in practice still faces numerous challenges, such as the large communication overhead due to the repetitive server-client synchronization and the lack of adaptivity by SGD-based model updates. Despite that various methods have been proposed for reducing the communication cost by gradient compression or quantization, and the federated versions of adaptive optimizers such as FedAdam are proposed to add more adaptivity, the current federated learning framework still cannot solve the aforementioned challenges all at once. In this paper, we propose a novel communication-efficient adaptive federated learning method (FedCAMS) with theoretical convergence guarantees. We show that in the nonconvex stochastic optimization setting, our proposed FedCAMS achieves the same convergence rate of $O(\frac{1}{\sqrt{TKm}})$ as its non-compressed counterparts. Extensive experiments on various benchmarks verify our theoretical analysis.  ( 2 min )

Recent advances in machine learning have significantly improved the understanding of source code data and achieved good performance on a number of downstream tasks. Open source repositories like GitHub enable this process with rich unlabeled code data. However, the lack of high quality labeled data has largely hindered the progress of several code related tasks, such as program translation, summarization, synthesis, and code search. This paper introduces XLCoST, Cross-Lingual Code SnippeT dataset, a new benchmark dataset for cross-lingual code intelligence. Our dataset contains fine-grained parallel data from 8 languages (7 commonly used programming languages and English), and supports 10 cross-lingual code tasks. To the best of our knowledge, it is the largest parallel dataset for source code both in terms of size and the number of languages. We also provide the performance of several state-of-the-art baseline models for each task. We believe this new dataset can be a valuable asset for the research community and facilitate the development and validation of new methods for cross-lingual code intelligence.  ( 2 min )

Class imbalance is a characteristic known for making learning more challenging for classification models as they may end up biased towards the majority class. A promising approach among the ensemble-based methods in the context of imbalance learning is Dynamic Selection (DS). DS techniques single out a subset of the classifiers in the ensemble to label each given unknown sample according to their estimated competence in the area surrounding the query. Because only a small region is taken into account in the selection scheme, the global class disproportion may have less impact over the system's performance. However, the presence of local class overlap may severely hinder the DS techniques' performance over imbalanced distributions as it not only exacerbates the effects of the under-representation but also introduces ambiguous and possibly unreliable samples to the competence estimation process. Thus, in this work, we propose a DS technique which attempts to minimize the effects of the local class overlap during the classifier selection procedure. The proposed method iteratively removes from the target region the instance perceived as the hardest to classify until a classifier is deemed competent to label the query sample. The known samples are characterized using instance hardness measures that quantify the local class overlap. Experimental results show that the proposed technique can significantly outperform the baseline as well as several other DS techniques, suggesting its suitability for dealing with class under-representation and overlap. Furthermore, the proposed technique still yielded competitive results when using an under-sampled, less overlapped version of the labelled sets, specially over the problems with a high proportion of minority class samples in overlap areas. Code available at https://github.com/marianaasouza/lords.  ( 3 min )

In this report we consider the following problem: Given a trained model that is partially faulty, can we correct its behaviour without having to train the model from scratch? In other words, can we ``debug" neural networks similar to how we address bugs in our mathematical models and standard computer code. We base our approach on the hypothesis that debugging can be treated as a two-task continual learning problem. In particular, we employ a modified version of a continual learning algorithm called Orthogonal Gradient Descent (OGD) to demonstrate, via two simple experiments on the MNIST dataset, that we can in-fact \textit{unlearn} the undesirable behaviour while retaining the general performance of the model, and we can additionally \textit{relearn} the appropriate behaviour, both without having to train the model from scratch.  ( 2 min )

The core of everyday tasks like reading and driving is active object recognition. Attempts to model such tasks are currently stymied by the inability to incorporate time. People show a flexible tradeoff between speed and accuracy and this tradeoff is a crucial human skill. Deep neural networks have emerged as promising candidates for predicting peak human object recognition performance and neural activity. However, modeling the temporal dimension i.e., the speed-accuracy tradeoff (SAT), is essential for them to serve as useful computational models for how humans recognize objects. To this end, we here present the first large-scale (148 observers, 4 neural networks, 8 tasks) dataset of the speed-accuracy tradeoff (SAT) in recognizing ImageNet images. In each human trial, a beep, indicating the desired reaction time, sounds at a fixed delay after the image is presented, and observer's response counts only if it occurs near the time of the beep. In a series of blocks, we test many beep latencies, i.e., reaction times. We observe that human accuracy increases with reaction time and proceed to compare its characteristics with the behavior of several dynamic neural networks that are capable of inference-time adaptive computation. Using FLOPs as an analog for reaction time, we compare networks with humans on curve-fit error, category-wise correlation, and curve steepness, and conclude that cascaded dynamic neural networks are a promising model of human reaction time in object recognition tasks.  ( 3 min )

When a machine-learning algorithm makes biased decisions, it can be helpful to understand the sources of disparity to explain why the bias exists. Towards this, we examine the problem of quantifying the contribution of each individual feature to the observed disparity. If we have access to the decision-making model, one potential approach (inspired from intervention-based approaches in explainability literature) is to vary each individual feature (while keeping the others fixed) and use the resulting change in disparity to quantify its contribution. However, we may not have access to the model or be able to test/audit its outputs for individually varying features. Furthermore, the decision may not always be a deterministic function of the input features (e.g., with human-in-the-loop). For these situations, we might need to explain contributions using purely distributional (i.e., observational) techniques, rather than interventional. We ask the question: what is the "potential" contribution of each individual feature to the observed disparity in the decisions when the exact decision-making mechanism is not accessible? We first provide canonical examples (thought experiments) that help illustrate the difference between distributional and interventional approaches to explaining contributions, and when either is better suited. When unable to intervene on the inputs, we quantify the "redundant" statistical dependency about the protected attribute that is present in both the final decision and an individual feature, by leveraging a body of work in information theory called Partial Information Decomposition. We also perform a simple case study to show how this technique could be applied to quantify contributions.  ( 3 min )

In an effort to regulate Machine Learning-driven (ML) systems, current auditing processes mostly focus on detecting harmful algorithmic biases. While these strategies have proven to be impactful, some values outlined in documents dealing with ethics in ML-driven systems are still underrepresented in auditing processes. Such unaddressed values mainly deal with contextual factors that cannot be easily quantified. In this paper, we develop a value-based assessment framework that is not limited to bias auditing and that covers prominent ethical principles for algorithmic systems. Our framework presents a circular arrangement of values with two bipolar dimensions that make common motivations and potential tensions explicit. In order to operationalize these high-level principles, values are then broken down into specific criteria and their manifestations. However, some of these value-specific criteria are mutually exclusive and require negotiation. As opposed to some other auditing frameworks that merely rely on ML researchers' and practitioners' input, we argue that it is necessary to include stakeholders that present diverse standpoints to systematically negotiate and consolidate value and criteria tensions. To that end, we map stakeholders with different insight needs, and assign tailored means for communicating value manifestations to them. We, therefore, contribute to current ML auditing practices with an assessment framework that visualizes closeness and tensions between values and we give guidelines on how to operationalize them, while opening up the evaluation and deliberation process to a wide range of stakeholders.  ( 3 min )

Linear layers in neural networks (NNs) trained by gradient descent can be expressed as a key-value memory system which stores all training datapoints and the initial weights, and produces outputs using unnormalised dot attention over the entire training experience. While this has been technically known since the 1960s, no prior work has effectively studied the operations of NNs in such a form, presumably due to prohibitive time and space complexities and impractical model sizes, all of them growing linearly with the number of training patterns which may get very large. However, this dual formulation offers a possibility of directly visualising how an NN makes use of training patterns at test time, by examining the corresponding attention weights. We conduct experiments on small scale supervised image classification tasks in single-task, multi-task, and continual learning settings, as well as language modelling, and discuss potentials and limits of this view for better understanding and interpreting how NNs exploit training patterns. Our code is public.  ( 2 min )

Graph Neural Networks (GNNs) have achieved remarkable performance on graph-based tasks. The key idea for GNNs is to obtain informative representation through aggregating information from local neighborhoods. However, it remains an open question whether the neighborhood information is adequately aggregated for learning representations of nodes with few neighbors. To address this, we propose a simple and efficient data augmentation strategy, local augmentation, to learn the distribution of the node representations of the neighbors conditioned on the central node's representation and enhance GNN's expressive power with generated features. Local augmentation is a general framework that can be applied to any GNN model in a plug-and-play manner. It samples feature vectors associated with each node from the learned conditional distribution as additional input for the backbone model at each training iteration. Extensive experiments and analyses show that local augmentation consistently yields performance improvement when applied to various GNN architectures across a diverse set of benchmarks. For example, experiments show that plugging in local augmentation to GCN and GAT improves by an average of 3.4\% and 1.6\% in terms of test accuracy on Cora, Citeseer, and Pubmed. Besides, our experimental results on large graphs (OGB) show that our model consistently improves performance over backbones. Code is available at https://github.com/SongtaoLiu0823/LAGNN.

While a lot of research in explainable AI focuses on producing effective explanations, less work is devoted to the question of how people understand and interpret the explanation. In this work, we focus on this question through a study of saliency-based explanations over textual data. Feature-attribution explanations of text models aim to communicate which parts of the input text were more influential than others towards the model decision. Many current explanation methods, such as gradient-based or Shapley value-based methods, provide measures of importance which are well-understood mathematically. But how does a person receiving the explanation (the explainee) comprehend it? And does their understanding match what the explanation attempted to communicate? We empirically investigate the effect of various factors of the input, the feature-attribution explanation, and visualization procedure, on laypeople's interpretation of the explanation. We query crowdworkers for their interpretation on tasks in English and German, and fit a GAMM model to their responses considering the factors of interest. We find that people often mis-interpret the explanations: superficial and unrelated factors, such as word length, influence the explainees' importance assignment despite the explanation communicating importance directly. We then show that some of this distortion can be attenuated: we propose a method to adjust saliencies based on model estimates of over- and under-perception, and explore bar charts as an alternative to heatmap saliency visualization. We find that both approaches can attenuate the distorting effect of specific factors, leading to better-calibrated understanding of the explanation.

This paper presents a novel approach combining convolutional layers (CLs) and large-margin metric learning for training supervised models on small datasets for texture classification. The core of such an approach is a loss function that computes the distances between instances of interest and support vectors. The objective is to update the weights of CLs iteratively to learn a representation with a large margin between classes. Each iteration results in a large-margin discriminant model represented by support vectors based on such a representation. The advantage of the proposed approach w.r.t. convolutional neural networks (CNNs) is two-fold. First, it allows representation learning with a small amount of data due to the reduced number of parameters compared to an equivalent CNN. Second, it has a low training cost since the backpropagation considers only support vectors. The experimental results on texture and histopathologic image datasets have shown that the proposed approach achieves competitive accuracy with lower computational cost and faster convergence when compared to equivalent CNNs.  ( 2 min )

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are commonly extracted from raw data which is of text or tabular (numeric/categorical) type in most real-world applications. The best models for such data types in most standard supervised learning settings with IID (non-graph) data are not simple neural network layers and thus are not easily incorporated into a GNN. Here we propose a robust stacking framework that fuses graph-aware propagation with arbitrary models intended for IID data, which are ensembled and stacked in multiple layers. Our layer-wise framework leverages bagging and stacking strategies to enjoy strong generalization, in a manner which effectively mitigates label leakage and overfitting. Across a variety of graph datasets with tabular/text node features, our method achieves comparable or superior performance relative to both tabular/text and graph neural network models, as well as existing state-of-the-art hybrid strategies that combine the two.  ( 2 min )

Interpretability methods for deep neural networks mainly focus on the sensitivity of the class score with respect to the original or perturbed input, usually measured using actual or modified gradients. Some methods also use a model-agnostic approach to understanding the rationale behind every prediction. In this paper, we argue and demonstrate that local geometry of the model parameter space relative to the input can also be beneficial for improved post-hoc explanations. To achieve this goal, we introduce an interpretability method called "geometrically-guided integrated gradients" that builds on top of the gradient calculation along a linear path as traditionally used in integrated gradient methods. However, instead of integrating gradient information, our method explores the model's dynamic behavior from multiple scaled versions of the input and captures the best possible attribution for each input. We demonstrate through extensive experiments that the proposed approach outperforms vanilla and integrated gradients in subjective and quantitative assessment. We also propose a "model perturbation" sanity check to complement the traditionally used "model randomization" test.  ( 2 min )

Saliency methods are a popular class of feature attribution explanation methods that aim to capture a model's predictive reasoning by identifying "important" pixels in an input image. However, the development and adoption of these methods are hindered by the lack of access to ground-truth model reasoning, which prevents accurate evaluation. In this work, we design a synthetic benchmarking framework, SMERF, that allows us to perform ground-truth-based evaluation while controlling the complexity of the model's reasoning. Experimentally, SMERF reveals significant limitations in existing saliency methods and, as a result, represents a useful tool for the development of new saliency methods.

Accurate intraoperative diagnosis is essential for providing safe and effective care during brain tumor surgery. Our standard-of-care diagnostic methods are time, resource, and labor intensive, which restricts access to optimal surgical treatments. To address these limitations, we propose an alternative workflow that combines stimulated Raman histology (SRH), a rapid optical imaging method, with deep learning-based automated interpretation of SRH images for intraoperative brain tumor diagnosis and real-time surgical decision support. Here, we present OpenSRH, the first public dataset of clinical SRH images from 300+ brain tumors patients and 1300+ unique whole slide optical images. OpenSRH contains data from the most common brain tumors diagnoses, full pathologic annotations, whole slide tumor segmentations, raw and processed optical imaging data for end-to-end model development and validation. We provide a framework for patch-based whole slide SRH classification and inference using weak (i.e. patient-level) diagnostic labels. Finally, we benchmark two computer vision tasks: multiclass histologic brain tumor classification and patch-based contrastive representation learning. We hope OpenSRH will facilitate the clinical translation of rapid optical imaging and real-time ML-based surgical decision support in order to improve the access, safety, and efficacy of cancer surgery in the era of precision medicine. Dataset access, code, and benchmarks are available at opensrh.mlins.org.  ( 2 min )

Causal discovery is to learn cause-effect relationships among variables given observational data and is important for many applications. Existing causal discovery methods assume data sufficiency, which may not be the case in many real world datasets. As a result, many existing causal discovery methods can fail under limited data. In this work, we propose Bayesian-augmented frequentist independence tests to improve the performance of constraint-based causal discovery methods under insufficient data: 1) We firstly introduce a Bayesian method to estimate mutual information (MI), based on which we propose a robust MI based independence test; 2) Secondly, we consider the Bayesian estimation of hypothesis likelihood and incorporate it into a well-defined statistical test, resulting in a robust statistical testing based independence test. We apply proposed independence tests to constraint-based causal discovery methods and evaluate the performance on benchmark datasets with insufficient samples. Experiments show significant performance improvement in terms of both accuracy and efficiency over SOTA methods.  ( 2 min )

This paper proposes a nonlinear policy architecture for control of partially-observed linear dynamical systems providing built-in closed-loop stability guarantees. The policy is based on a nonlinear version of the Youla parameterization, and augments a known stabilizing linear controller with a nonlinear operator from a recently developed class of dynamic neural network models called the recurrent equilibrium network (REN). We prove that RENs are universal approximators of contracting and Lipschitz nonlinear systems, and subsequently show that the the proposed Youla-REN architecture is a universal approximator of stabilizing nonlinear controllers. The REN architecture simplifies learning since unconstrained optimization can be applied, and we consider both a model-based case where exact gradients are available and reinforcement learning using random search with zeroth-order oracles. In simulation examples our method converges faster to better controllers and is more scalable than existing methods, while guaranteeing stability during learning transients.

We study the fundamental problem of learning a single neuron, i.e., a function of the form $\mathbf{x}\mapsto\sigma(\mathbf{w}\cdot\mathbf{x})$ for monotone activations $\sigma:\mathbb{R}\mapsto\mathbb{R}$, with respect to the $L_2^2$-loss in the presence of adversarial label noise. Specifically, we are given labeled examples from a distribution $D$ on $(\mathbf{x}, y)\in\mathbb{R}^d \times \mathbb{R}$ such that there exists $\mathbf{w}^\ast\in\mathbb{R}^d$ achieving $F(\mathbf{w}^\ast)=\epsilon$, where $F(\mathbf{w})=\mathbf{E}_{(\mathbf{x},y)\sim D}[(\sigma(\mathbf{w}\cdot \mathbf{x})-y)^2]$. The goal of the learner is to output a hypothesis vector $\mathbf{w}$ such that $F(\mathbb{w})=C\, \epsilon$ with high probability, where $C>1$ is a universal constant. As our main contribution, we give efficient constant-factor approximate learners for a broad class of distributions (including log-concave distributions) and activation functions. Concretely, for the class of isotropic log-concave distributions, we obtain the following important corollaries: For the logistic activation, we obtain the first polynomial-time constant factor approximation (even under the Gaussian distribution). Our algorithm has sample complexity $\widetilde{O}(d/\epsilon)$, which is tight within polylogarithmic factors. For the ReLU activation, we give an efficient algorithm with sample complexity $\tilde{O}(d\, \polylog(1/\epsilon))$. Prior to our work, the best known constant-factor approximate learner had sample complexity $\tilde{\Omega}(d/\epsilon)$. In both of these settings, our algorithms are simple, performing gradient-descent on the (regularized) $L_2^2$-loss. The correctness of our algorithms relies on novel structural results that we establish, showing that (essentially all) stationary points of the underlying non-convex loss are approximately optimal.

Fairness-aware learning mainly focuses on single task learning (STL). The fairness implications of multi-task learning (MTL) have only recently been considered and a seminal approach has been proposed that considers the fairness-accuracy trade-off for each task and the performance trade-off among different tasks. Instead of a rigid fairness-accuracy trade-off formulation, we propose a flexible approach that learns how to be fair in a MTL setting by selecting which objective (accuracy or fairness) to optimize at each step. We introduce the L2T-FMT algorithm that is a teacher-student network trained collaboratively; the student learns to solve the fair MTL problem while the teacher instructs the student to learn from either accuracy or fairness, depending on what is harder to learn for each task. Moreover, this dynamic selection of which objective to use at each step for each task reduces the number of trade-off weights from 2T to T, where T is the number of tasks. Our experiments on three real datasets show that L2T-FMT improves on both fairness (12-19%) and accuracy (up to 2%) over state-of-the-art approaches.  ( 2 min )

Using the 20 questions estimation framework with query-dependent noise, we study non-adaptive search strategies for a moving target over the unit cube with unknown initial location and velocities under a piecewise constant velocity model. In this search problem, there is an oracle who knows the instantaneous location of the target at any time. Our task is to query the oracle as few times as possible to accurately estimate the location of the target at any specified time. We first study the case where the oracle's answer to each query is corrupted by discrete noise and then generalize our results to the case of additive white Gaussian noise. In our formulation, the performance criterion is the resolution, which is defined as the maximal $L_\infty$ distance between the true locations and estimated locations. We characterize the minimal resolution of an optimal non-adaptive query procedure with a finite number of queries by deriving non-asymptotic and asymptotic bounds. Our bounds are tight in the first-order asymptotic sense when the number of queries satisfies a certain condition and our bounds are tight in the stronger second-order asymptotic sense when the target moves with a constant velocity. To prove our results, we relate the current problem to channel coding, borrow ideas from finite blocklength information theory and construct bounds on the number of possible quantized target trajectories.

We generalize the multiple-play multi-armed bandits (MP-MAB) problem with a shareable arm setting, in which several plays can share the same arm. Furthermore, each shareable arm has a finite reward capacity and a ''per-load'' reward distribution, both of which are unknown to the learner. The reward from a shareable arm is load-dependent, which is the "per-load" reward multiplying either the number of plays pulling the arm, or its reward capacity when the number of plays exceeds the capacity limit. When the "per-load" reward follows a Gaussian distribution, we prove a sample complexity lower bound of learning the capacity from load-dependent rewards and also a regret lower bound of this new MP-MAB problem. We devise a capacity estimator whose sample complexity upper bound matches the lower bound in terms of reward means and capacities. We also propose an online learning algorithm to address the problem and prove its regret upper bound. This regret upper bound's first term is the same as regret lower bound's, and its second and third terms also evidently correspond to lower bound's. Extensive experiments validate our algorithm's performance and also its gain in 5G & 4G base station selection.

Stein Variational Gradient Descent (SVGD) is an algorithm for sampling from a target density which is known up to a multiplicative constant. Although SVGD is a popular algorithm in practice, its theoretical study is limited to a few recent works. We study the convergence of SVGD in the population limit, (i.e., with an infinite number of particles) to sample from a non-logconcave target distribution satisfying Talagrand's inequality T1. We first establish the convergence of the algorithm. Then, we establish a dimension-dependent complexity bound in terms of the Kernelized Stein Discrepancy (KSD). Unlike existing works, we do not assume that the KSD is bounded along the trajectory of the algorithm. Our approach relies on interpreting SVGD as a gradient descent over a space of probability measures.

Traditional biological and pharmaceutical manufacturing plants are controlled by human workers or pre-defined thresholds. Modernized factories have advanced process control algorithms such as model predictive control (MPC). However, there is little exploration of applying deep reinforcement learning to control manufacturing plants. One of the reasons is the lack of high fidelity simulations and standard APIs for benchmarking. To bridge this gap, we develop an easy-to-use library that includes five high-fidelity simulation environments: BeerFMTEnv, ReactorEnv, AtropineEnv, PenSimEnv and mAbEnv, which cover a wide range of manufacturing processes. We build these environments on published dynamics models. Furthermore, we benchmark online and offline, model-based and model-free reinforcement learning algorithms for comparisons of follow-up research.

Classifying samples in incomplete datasets is a common aim for machine learning practitioners, but is non-trivial. Missing data is found in most real-world datasets and these missing values are typically imputed using established methods, followed by classification of the now complete, imputed, samples. The focus of the machine learning researcher is then to optimise the downstream classification performance. In this study, we highlight that it is imperative to consider the quality of the imputation. We demonstrate how the commonly used measures for assessing quality are flawed and propose a new class of discrepancy scores which focus on how well the method recreates the overall distribution of the data. To conclude, we highlight the compromised interpretability of classifier models trained using poorly imputed data.

Vision Transformers (ViT) have recently demonstrated exemplary performance on a variety of vision tasks and are being used as an alternative to CNNs. Their design is based on a self-attention mechanism that processes images as a sequence of patches, which is quite different compared to CNNs. Hence it is interesting to study if ViTs are vulnerable to backdoor attacks. Backdoor attacks happen when an attacker poisons a small part of the training data for malicious purposes. The model performance is good on clean test images, but the attacker can manipulate the decision of the model by showing the trigger at test time. To the best of our knowledge, we are the first to show that ViTs are vulnerable to backdoor attacks. We also find an intriguing difference between ViTs and CNNs - interpretation algorithms effectively highlight the trigger on test images for ViTs but not for CNNs. Based on this observation, we propose a test-time image blocking defense for ViTs which reduces the attack success rate by a large margin. Code is available here: https://github.com/UCDvision/backdoor_transformer.git

The accelerated proximal point algorithm (APPA), also known as "Catalyst", is a well-established reduction from convex optimization to approximate proximal point computation (i.e., regularized minimization). This reduction is conceptually elegant and yields strong convergence rate guarantees. However, these rates feature an extraneous logarithmic term arising from the need to compute each proximal point to high accuracy. In this work, we propose a novel Relaxed Error Criterion for Accelerated Proximal Point (RECAPP) that eliminates the need for high accuracy subproblem solutions. We apply RECAPP to two canonical problems: finite-sum and max-structured minimization. For finite-sum problems, we match the best known complexity, previously obtained by carefully-designed problem-specific algorithms. For minimizing $\max_y f(x,y)$ where $f$ is convex in $x$ and strongly-concave in $y$, we improve on the best known (Catalyst-based) bound by a logarithmic factor.

The fast spreading adoption of machine learning (ML) by companies across industries poses significant regulatory challenges. One such challenge is scalability: how can regulatory bodies efficiently audit these ML models, ensuring that they are fair? In this paper, we initiate the study of query-based auditing algorithms that can estimate the demographic parity of ML models in a query-efficient manner. We propose an optimal deterministic algorithm, as well as a practical randomized, oracle-efficient algorithm with comparable guarantees. Furthermore, we make inroads into understanding the optimal query complexity of randomized active fairness estimation algorithms. Our first exploration of active fairness estimation aims to put AI governance on firmer theoretical foundations.

Score-based generative models (SGMs) are a recent breakthrough in generating fake images. SGMs are known to surpass other generative models, e.g., generative adversarial networks (GANs) and variational autoencoders (VAEs). Being inspired by their big success, in this work, we fully customize them for generating fake tabular data. In particular, we are interested in oversampling minor classes since imbalanced classes frequently lead to sub-optimal training outcomes. To our knowledge, we are the first presenting a score-based tabular data oversampling method. Firstly, we re-design our own score network since we have to process tabular data. Secondly, we propose two options for our generation method: the former is equivalent to a style transfer for tabular data and the latter uses the standard generative policy of SGMs. Lastly, we define a fine-tuning method, which further enhances the oversampling quality. In our experiments with 6 datasets and 10 baselines, our method outperforms other oversampling methods in all cases.

Communication becomes a bottleneck in various distributed Machine Learning settings. Here, we propose a novel training framework that leads to highly efficient communication of models between agents. In short, we train our network to be a linear combination of many pseudo-randomly generated frozen models. For communication, the source agent transmits only the `seed' scalar used to generate the pseudo-random `basis' networks along with the learned linear mixture coefficients. Our method, denoted as PRANC, learns almost $100\times$ fewer parameters than a deep model and still performs well on several datasets and architectures. PRANC enables 1) efficient communication of models between agents, 2) efficient model storage, and 3) accelerated inference by generating layer-wise weights on the fly. We test PRANC on CIFAR-10, CIFAR-100, tinyImageNet, and ImageNet-100 with various architectures like AlexNet, LeNet, ResNet18, ResNet20, and ResNet56 and demonstrate a massive reduction in the number of parameters while providing satisfactory performance on these benchmark datasets. The code is available \href{https://github.com/UCDvision/PRANC}{https://github.com/UCDvision/PRANC}

A Sheaf Neural Network (SNN) is a type of Graph Neural Network (GNN) that operates on a sheaf, an object that equips a graph with vector spaces over its nodes and edges and linear maps between these spaces. SNNs have been shown to have useful theoretical properties that help tackle issues arising from heterophily and over-smoothing. One complication intrinsic to these models is finding a good sheaf for the task to be solved. Previous works proposed two diametrically opposed approaches: manually constructing the sheaf based on domain knowledge and learning the sheaf end-to-end using gradient-based methods. However, domain knowledge is often insufficient, while learning a sheaf could lead to overfitting and significant computational overhead. In this work, we propose a novel way of computing sheaves drawing inspiration from Riemannian geometry: we leverage the manifold assumption to compute manifold-and-graph-aware orthogonal maps, which optimally align the tangent spaces of neighbouring data points. We show that this approach achieves promising results with less computational overhead when compared to previous SNN models. Overall, this work provides an interesting connection between algebraic topology and differential geometry, and we hope that it will spark future research in this direction.

Human vision involves parsing and representing objects and scenes using structured representations based on part-whole hierarchies. Computer vision and machine learning researchers have recently sought to emulate this capability using capsule networks, reference frames and active predictive coding, but a generative model formulation has been lacking. We introduce Recursive Neural Programs (RNPs), which, to our knowledge, is the first neural generative model to address the part-whole hierarchy learning problem. RNPs model images as hierarchical trees of probabilistic sensory-motor programs that recursively reuse learned sensory-motor primitives to model an image within different reference frames, forming recursive image grammars. We express RNPs as structured variational autoencoders (sVAEs) for inference and sampling, and demonstrate parts-based parsing, sampling and one-shot transfer learning for MNIST, Omniglot and Fashion-MNIST datasets, demonstrating the model's expressive power. Our results show that RNPs provide an intuitive and explainable way of composing objects and scenes, allowing rich compositionality and intuitive interpretations of objects in terms of part-whole hierarchies.

We study the problem of online multi-task learning where the tasks are performed within similar but not necessarily identical multi-armed bandit environments. In particular, we study how a learner can improve its overall performance across multiple related tasks through robust transfer of knowledge. While an upper confidence bound (UCB)-based algorithm has recently been shown to achieve nearly-optimal performance guarantees in a setting where all tasks are solved concurrently, it remains unclear whether Thompson sampling (TS) algorithms, which have superior empirical performance in general, share similar theoretical properties. In this work, we present a TS-type algorithm for a more general online multi-task learning protocol, which extends the concurrent setting. We provide its frequentist analysis and prove that it is also nearly-optimal using a novel concentration inequality for multi-task data aggregation at random stopping times. Finally, we evaluate the algorithm on synthetic data and show that the TS-type algorithm enjoys superior empirical performance in comparison with the UCB-based algorithm and a baseline algorithm that performs TS for each individual task without transfer.  ( 2 min )

We introduce a method for policy improvement that interpolates between the greedy approach of value-based reinforcement learning (RL) and the full planning approach typical of model-based RL. The new method builds on the concept of a geometric horizon model (GHM, also known as a gamma-model), which models the discounted state-visitation distribution of a given policy. We show that we can evaluate any non-Markov policy that switches between a set of base Markov policies with fixed probability by a careful composition of the base policy GHMs, without any additional learning. We can then apply generalised policy improvement (GPI) to collections of such non-Markov policies to obtain a new Markov policy that will in general outperform its precursors. We provide a thorough theoretical analysis of this approach, develop applications to transfer and standard RL, and empirically demonstrate its effectiveness over standard GPI on a challenging deep RL continuous control task. We also provide an analysis of GHM training methods, proving a novel convergence result regarding previously proposed methods and showing how to train these models stably in deep RL settings.  ( 2 min )

In the second half of the 20th century, Parliament allowed broadcasters to transmit radio and eventually television coverage of debates and meetings of select committees. More recently, in an effort to further improve transparency and citizen engagement, the UK Parliament started publishing videos of these debates and meetings itself, and tweeting details of debates as they happened. In this paper, we attempt to characterise how people engage with video data of Parliamentary debates by using more than two years of Google Analytics data around these videos. We analyse the patterns of engagement - how do they land on a particular video? How do they hear about this video, i.e., what is the (HTTP) referrer website that led to the user clicking on the video? Once a user lands on a video, how do they engage with it? For how long is the video played? What is the next destination? etc. Answering these questions is an important first step towards understanding why and how people use Parliamentary videos, and therefore, how the video delivery platform should be adapted and personalised for the needs of the citizens of the country. Taking inspiration from An, Kwak, and Jansen (2017), we employ Non-Negative Matrix Factorization (NMF) (Lee and Seung, 1999) on the video views matrix to identify different archetypes of users, and identify archetypes. A deeper examination of the archetypes we find reveals that they are primarily distinguished by how they land on the video page: Search (i.e., through a search engine), Referral (i.e., from other Parliamentary websites), Direct (i.e., through a direct link, which is embedded on another website), Social (i.e., through a social platform such as Facebook or Twitter) and Others.  ( 3 min )

Conventionally, audio super-resolution models fixed the initial and the target sampling rates, which necessitate the model to be trained for each pair of sampling rates. We introduce NU-Wave 2, a diffusion model for neural audio upsampling that enables the generation of 48 kHz audio signals from inputs of various sampling rates with a single model. Based on the architecture of NU-Wave, NU-Wave 2 uses short-time Fourier convolution (STFC) to generate harmonics to resolve the main failure modes of NU-Wave, and incorporates bandwidth spectral feature transform (BSFT) to condition the bandwidths of inputs in the frequency domain. We experimentally demonstrate that NU-Wave 2 produces high-resolution audio regardless of the sampling rate of input while requiring fewer parameters than other models. The official code and the audio samples are available at https://mindslab-ai.github.io/nuwave2.  ( 2 min )

The neural underpinning of the biological visual system is challenging to study experimentally, in particular as the neuronal activity becomes increasingly nonlinear with respect to visual input. Artificial neural networks (ANNs) can serve a variety of goals for improving our understanding of this complex system, not only serving as predictive digital twins of sensory cortex for novel hypothesis generation in silico, but also incorporating bio-inspired architectural motifs to progressively bridge the gap between biological and machine vision. The mouse has recently emerged as a popular model system to study visual information processing, but no standardized large-scale benchmark to identify state-of-the-art models of the mouse visual system has been established. To fill this gap, we propose the Sensorium benchmark competition. We collected a large-scale dataset from mouse primary visual cortex containing the responses of more than 28,000 neurons across seven mice stimulated with thousands of natural images, together with simultaneous behavioral measurements that include running speed, pupil dilation, and eye movements. The benchmark challenge will rank models based on predictive performance for neuronal responses on a held-out test set, and includes two tracks for model input limited to either stimulus only (Sensorium) or stimulus plus behavior (Sensorium+). We provide a starting kit to lower the barrier for entry, including tutorials, pre-trained baseline models, and APIs with one line commands for data loading and submission. We would like to see this as a starting point for regular challenges and data releases, and as a standard tool for measuring progress in large-scale neural system identification models of the mouse visual system and beyond.  ( 3 min )

We introduce translation error correction (TEC), the task of automatically correcting human-generated translations. Imperfections in machine translations (MT) have long motivated systems for improving translations post-hoc with automatic post-editing. In contrast, little attention has been devoted to the problem of automatically correcting human translations, despite the intuition that humans make distinct errors that machines would be well-suited to assist with, from typos to inconsistencies in translation conventions. To investigate this, we build and release the Aced corpus with three TEC datasets. We show that human errors in TEC exhibit a more diverse range of errors and far fewer translation fluency errors than the MT errors in automatic post-editing datasets, suggesting the need for dedicated TEC models that are specialized to correct human errors. We show that pre-training instead on synthetic errors based on human errors improves TEC F-score by as much as 5.1 points. We conducted a human-in-the-loop user study with nine professional translation editors and found that the assistance of our TEC system led them to produce significantly higher quality revised translations.  ( 2 min )

Feature selection is a crucial step in developing robust and powerful machine learning models. Feature selection techniques can be divided into two categories: filter and wrapper methods. While wrapper methods commonly result in strong predictive performances, they suffer from a large computational complexity and therefore take a significant amount of time to complete, especially when dealing with high-dimensional feature sets. Alternatively, filter methods are considerably faster, but suffer from several other disadvantages, such as (i) requiring a threshold value, (ii) not taking into account intercorrelation between features, and (iii) ignoring feature interactions with the model. To this end, we present powershap, a novel wrapper feature selection method, which leverages statistical hypothesis testing and power calculations in combination with Shapley values for quick and intuitive feature selection. Powershap is built on the core assumption that an informative feature will have a larger impact on the prediction compared to a known random feature. Benchmarks and simulations show that powershap outperforms other filter methods with predictive performances on par with wrapper methods while being significantly faster, often even reaching half or a third of the execution time. As such, powershap provides a competitive and quick algorithm that can be used by various models in different domains. Furthermore, powershap is implemented as a plug-and-play and open-source sklearn component, enabling easy integration in conventional data science pipelines. User experience is even further enhanced by also providing an automatic mode that automatically tunes the hyper-parameters of the powershap algorithm, allowing to use the algorithm without any configuration needed.  ( 3 min )

In science and engineering applications, it is often required to solve similar computational problems repeatedly. In such cases, we can utilize the data from previously solved problem instances to improve the efficiency of finding subsequent solutions. This offers a unique opportunity to combine machine learning (in particular, meta-learning) and scientific computing. To date, a variety of such domain-specific methods have been proposed in the literature, but a generic approach for designing these methods remains under-explored. In this paper, we tackle this issue by formulating a general framework to describe these problems, and propose a gradient-based algorithm to solve them in a unified way. As an illustration of this approach, we study the adaptive generation of parameters for iterative solvers to accelerate the solution of differential equations. We demonstrate the performance and versatility of our method through theoretical analysis and numerical experiments, including applications to incompressible flow simulations and an inverse problem of parameter estimation.  ( 2 min )

Neural networks are powerful function estimators, leading to their status as a paradigm of choice for modeling structured data. However, unlike other structured representations that emphasize the modularity of the problem -- e.g., factor graphs -- neural networks are usually monolithic mappings from inputs to outputs, with a fixed computation order. This limitation prevents them from capturing different directions of computation and interaction between the modeled variables. In this paper, we combine the representational strengths of factor graphs and of neural networks, proposing undirected neural networks (UNNs): a flexible framework for specifying computations that can be performed in any order. For particular choices, our proposed models subsume and extend many existing architectures: feed-forward, recurrent, self-attention networks, auto-encoders, and networks with implicit layers. We demonstrate the effectiveness of undirected neural architectures, both unstructured and structured, on a range of tasks: tree-constrained dependency parsing, convolutional image classification, and sequence completion with attention. By varying the computation order, we show how a single UNN can be used both as a classifier and a prototype generator, and how it can fill in missing parts of an input sequence, making them a promising field for further research.

Spectral Graph Neural Network is a kind of Graph Neural Network (GNN) based on graph signal filters. Some models able to learn arbitrary spectral filters have emerged recently. However, few works analyze the expressive power of spectral GNNs. This paper studies spectral GNNs' expressive power theoretically. We first prove that even spectral GNNs without nonlinearity can produce arbitrary graph signals and give two conditions for reaching universality. They are: 1) no multiple eigenvalues of graph Laplacian, and 2) no missing frequency components in node features. We also establish a connection between the expressive power of spectral GNNs and Graph Isomorphism (GI) testing, the latter of which is often used to characterize spatial GNNs' expressive power. Moreover, we study the difference in empirical performance among different spectral GNNs with the same expressive power from an optimization perspective, and motivate the use of an orthogonal basis whose weight function corresponds to the graph signal density in the spectrum. Inspired by the analysis, we propose JacobiConv, which uses Jacobi basis due to its orthogonality and flexibility to adapt to a wide range of weight functions. JacobiConv deserts nonlinearity while outperforming all baselines on both synthetic and real-world datasets.

Recent advances in multimodal single-cell technologies have enabled simultaneous acquisitions of multiple omics data from the same cell, providing deeper insights into cellular states and dynamics. However, it is challenging to learn the joint representations from the multimodal data, model the relationship between modalities, and, more importantly, incorporate the vast amount of single-modality datasets into the downstream analyses. To address these challenges and correspondingly facilitate multimodal single-cell data analyses, three key tasks have been introduced: $\textit{modality prediction}$, $\textit{modality matching}$ and $\textit{joint embedding}$. In this work, we present a general Graph Neural Network framework $\textit{scMoGNN}$ to tackle these three tasks and show that $\textit{scMoGNN}$ demonstrates superior results in all three tasks compared with the state-of-the-art and conventional approaches. Our method is an official winner in the overall ranking of \textit{Modality prediction} from NeurIPS 2021 Competition\footnote{\url{https://openproblems.bio/neurips_2021/}}, and all implementations of our methods have been integrated into DANCE package \footnote{\url{https://github.com/OmicsML/dance}}.

We present Bayesian Spillover Graphs (BSG), a novel method for learning temporal relationships, identifying critical nodes, and quantifying uncertainty for multi-horizon spillover effects in a dynamic system. BSG leverages both an interpretable framework via forecast error variance decompositions (FEVD) and comprehensive uncertainty quantification via Bayesian time series models to contextualize temporal relationships in terms of systemic risk and prediction variability. Forecast horizon hyperparameter $h$ allows for learning both short-term and equilibrium state network behaviors. Experiments for identifying source and sink nodes under various graph and error specifications show significant performance gains against state-of-the-art Bayesian Networks and deep-learning baselines. Applications to real-world systems also showcase BSG as an exploratory analysis tool for uncovering indirect spillovers and quantifying systemic risk.

In the pursuit of explaining implicit regularization in deep learning, prominent focus was given to matrix and tensor factorizations, which correspond to simplified neural networks. It was shown that these models exhibit an implicit tendency towards low matrix and tensor ranks, respectively. Drawing closer to practical deep learning, the current paper theoretically analyzes the implicit regularization in hierarchical tensor factorization, a model equivalent to certain deep convolutional neural networks. Through a dynamical systems lens, we overcome challenges associated with hierarchy, and establish implicit regularization towards low hierarchical tensor rank. This translates to an implicit regularization towards locality for the associated convolutional networks. Inspired by our theory, we design explicit regularization discouraging locality, and demonstrate its ability to improve the performance of modern convolutional networks on non-local tasks, in defiance of conventional wisdom by which architectural changes are needed. Our work highlights the potential of enhancing neural networks via theoretical analysis of their implicit regularization.

Transformer has achieved great successes in learning vision and language representation, which is general across various downstream tasks. In visual control, learning transferable state representation that can transfer between different control tasks is important to reduce the training sample size. However, porting Transformer to sample-efficient visual control remains a challenging and unsolved problem. To this end, we propose a novel Control Transformer (CtrlFormer), possessing many appealing benefits that prior arts do not have. Firstly, CtrlFormer jointly learns self-attention mechanisms between visual tokens and policy tokens among different control tasks, where multitask representation can be learned and transferred without catastrophic forgetting. Secondly, we carefully design a contrastive reinforcement learning paradigm to train CtrlFormer, enabling it to achieve high sample efficiency, which is important in control problems. For example, in the DMControl benchmark, unlike recent advanced methods that failed by producing a zero score in the "Cartpole" task after transfer learning with 100k samples, CtrlFormer can achieve a state-of-the-art score with only 100k samples while maintaining the performance of previous tasks. The code and models are released in our project homepage.

In this paper, we study a class of bilevel optimization problems, also known as simple bilevel optimization, where we minimize a smooth objective function over the optimal solution set of another convex constrained optimization problem. Several iterative methods have been developed for tackling this class of problems. Alas, their convergence guarantees are not satisfactory as they are either asymptotic for the upper-level objective, or the convergence rates are slow and sub-optimal. To address this issue, in this paper, we introduce a generalization of the Frank-Wolfe (FW) method to solve the considered problem. The main idea of our method is to locally approximate the solution set of the lower-level problem via a cutting plane, and then run a FW-type update to decrease the upper-level objective. When the upper-level objective is convex, we show that our method requires ${\mathcal{O}}(\max\{1/\epsilon_f,1/\epsilon_g\})$ iterations to find a solution that is $\epsilon_f$-optimal for the upper-level objective and $\epsilon_g$-optimal for the lower-level objective. Moreover, when the upper-level objective is non-convex, our method requires ${\mathcal{O}}(\max\{1/\epsilon_f^2,1/(\epsilon_f\epsilon_g)\})$ iterations to find an $(\epsilon_f,\epsilon_g)$-optimal solution. We further prove stronger convergence guarantees under the H\"olderian error bound assumption on the lower-level problem. To the best of our knowledge, our method achieves the best-known iteration complexity for the considered bilevel problem. We also present numerical experiments to showcase the superior performance of our method compared with state-of-the-art methods.

The Receptive Field (RF) size has been one of the most important factors for One Dimensional Convolutional Neural Networks (1D-CNNs) on time series classification tasks. Large efforts have been taken to choose the appropriate size because it has a huge influence on the performance and differs significantly for each dataset. In this paper, we propose an Omni-Scale block (OS-block) for 1D-CNNs, where the kernel sizes are decided by a simple and universal rule. Particularly, it is a set of kernel sizes that can efficiently cover the best RF size across different datasets via consisting of multiple prime numbers according to the length of the time series. The experiment result shows that models with the OS-block can achieve a similar performance as models with the searched optimal RF size and due to the strong optimal RF size capture ability, simple 1D-CNN models with OS-block achieves the state-of-the-art performance on four time series benchmarks, including both univariate and multivariate data from multiple domains. Comprehensive analysis and discussions shed light on why the OS-block can capture optimal RF sizes across different datasets. Code available [https://github.com/Wensi-Tang/OS-CNN]

Keyword spotting (KWS) aims to discriminate a specific wake-up word from other signals precisely and efficiently for different users. Recent works utilize various deep networks to train KWS models with all users' speech data centralized without considering data privacy. Federated KWS (FedKWS) could serve as a solution without directly sharing users' data. However, the small amount of data, different user habits, and various accents could lead to fatal problems, e.g., overfitting or weight divergence. Hence, we propose several strategies to encourage the model not to overfit user-specific information in FedKWS. Specifically, we first propose an adversarial learning strategy, which updates the downloaded global model against an overfitted local model and explicitly encourages the global model to capture user-invariant information. Furthermore, we propose an adaptive local training strategy, letting clients with more training data and more uniform class distributions undertake more local update steps. Equivalently, this strategy could weaken the negative impacts of those users whose data is less qualified. Our proposed FedKWS-UI could explicitly and implicitly learn user-invariant information in FedKWS. Abundant experimental results on federated Google Speech Commands verify the effectiveness of FedKWS-UI.

This article is a survey on deep learning methods for single and multiple sound source localization. We are particularly interested in sound source localization in indoor/domestic environment, where reverberation and diffuse noise are present. We provide an exhaustive topography of the neural-based localization literature in this context, organized according to several aspects: the neural network architecture, the type of input features, the output strategy (classification or regression), the types of data used for model training and evaluation, and the model training strategy. This way, an interested reader can easily comprehend the vast panorama of the deep learning-based sound source localization methods. Tables summarizing the literature survey are provided at the end of the paper for a quick search of methods with a given set of target characteristics.

As researchers and practitioners apply Machine Learning to increasingly more software engineering problems, the approaches they use become more sophisticated. A lot of modern approaches utilize internal code structure in the form of an abstract syntax tree (AST) or its extensions: path-based representation, complex graph combining AST with additional edges. Even though the process of extracting ASTs from code can be done with different parsers, the impact of choosing a parser on the final model quality remains unstudied. Moreover, researchers often omit the exact details of extracting particular code representations. In this work, we evaluate two models, namely Code2Seq and TreeLSTM, in the method name prediction task backed by eight different parsers for the Java language. To unify the process of data preparation with different parsers, we develop SuperParser, a multi-language parser-agnostic library based on PathMiner. SuperParser facilitates the end-to-end creation of datasets suitable for training and evaluation of ML models that work with structural information from source code. Our results demonstrate that trees built by different parsers vary in their structure and content. We then analyze how this diversity affects the models' quality and show that the quality gap between the most and least suitable parsers for both models turns out to be significant. Finally, we discuss other features of the parsers that researchers and practitioners should take into account when selecting a parser along with the impact on the models' quality. The code of SuperParser is publicly available at https://doi.org/10.5281/zenodo.6366591. We also publish Java-norm, the dataset we use to evaluate the models: https://doi.org/10.5281/zenodo.6366599.

Dropout has been commonly used to quantify prediction uncertainty, i.e, the variations of model predictions on a given input example. However, using dropout in practice can be expensive as it requires running dropout inferences many times. In this paper, we study how to estimate dropout prediction uncertainty in a resource-efficient manner. We demonstrate that we can use neuron activation strengths to estimate dropout prediction uncertainty under different dropout settings and on a variety of tasks using three large datasets, MovieLens, Criteo, and EMNIST. Our approach provides an inference-once method to estimate dropout prediction uncertainty as a cheap auxiliary task. We also demonstrate that using activation features from a subset of the neural network layers can be sufficient to achieve uncertainty estimation performance almost comparable to that of using activation features from all layers, thus reducing resources even further for uncertainty estimation.

We consider the smooth convex-concave bilinearly-coupled saddle-point problem, $\min_{\mathbf{x}}\max_{\mathbf{y}}~F(\mathbf{x}) + H(\mathbf{x},\mathbf{y}) - G(\mathbf{y})$, where one has access to stochastic first-order oracles for $F$, $G$ as well as the bilinear coupling function $H$. Building upon standard stochastic extragradient analysis for variational inequalities, we present a stochastic \emph{accelerated gradient-extragradient (AG-EG)} descent-ascent algorithm that combines extragradient and Nesterov's acceleration in general stochastic settings. This algorithm leverages scheduled restarting to admit a fine-grained nonasymptotic convergence rate that matches known lower bounds by both \citet{ibrahim2020linear} and \citet{zhang2021lower} in their corresponding settings, plus an additional statistical error term for bounded stochastic noise that is optimal up to a constant prefactor. This is the first result that achieves such a relatively mature characterization of optimality in saddle-point optimization.

Pancreatic cancers have one of the worst prognoses compared to other cancers, as they are diagnosed when cancer has progressed towards its latter stages. The current manual histological grading for diagnosing pancreatic adenocarcinomas is time-consuming and often results in misdiagnosis. In digital pathology, AI-based cancer grading must be extremely accurate in prediction and uncertainty quantification to improve reliability and explainability and are essential for gaining clinicians trust in the technology. We present Bayesian Convolutional Neural Networks for automated pancreatic cancer grading from MGG and HE stained images to estimate uncertainty in model prediction. We show that the estimated uncertainty correlates with prediction error. Specifically, it is useful in setting the acceptance threshold using a metric that weighs classification accuracy-reject trade-off and misclassification cost controlled by hyperparameters and can be employed in clinical settings.

Rule set learning has long been studied and has recently been frequently revisited due to the need for interpretable models. Still, existing methods have several shortcomings: 1) most recent methods require a binary feature matrix as input, learning rules directly from numeric variables is understudied; 2) existing methods impose orders among rules, either explicitly or implicitly, which harms interpretability; and 3) currently no method exists for learning probabilistic rule sets for multi-class target variables (there is only a method for probabilistic rule lists). We propose TURS, for Truly Unordered Rule Sets, which addresses these shortcomings. We first formalise the problem of learning truly unordered rule sets. To resolve conflicts caused by overlapping rules, i.e., instances covered by multiple rules, we propose a novel approach that exploits the probabilistic properties of our rule sets. We next develop a two-phase heuristic algorithm that learns rule sets by carefully growing rules. An important innovation is that we use a surrogate score to take the global potential of the rule set into account when learning a local rule. Finally, we empirically demonstrate that, compared to non-probabilistic and (explicitly or implicitly) ordered state-of-the-art methods, our method learns rule sets that not only have better interpretability (i.e., they are smaller and truly unordered), but also better predictive performance.

Newton-type methods are popular in federated learning due to their fast convergence. Still, they suffer from two main issues, namely: low communication efficiency and low privacy due to the requirement of sending Hessian information from clients to parameter server (PS). In this work, we introduced a novel framework called FedNew in which there is no need to transmit Hessian information from clients to PS, hence resolving the bottleneck to improve communication efficiency. In addition, FedNew hides the gradient information and results in a privacy-preserving approach compared to the existing state-of-the-art. The core novel idea in FedNew is to introduce a two level framework, and alternate between updating the inverse Hessian-gradient product using only one alternating direction method of multipliers (ADMM) step and then performing the global model update using Newton's method. Though only one ADMM pass is used to approximate the inverse Hessian-gradient product at each iteration, we develop a novel theoretical approach to show the converging behavior of FedNew for convex problems. Additionally, a significant reduction in communication overhead is achieved by utilizing stochastic quantization. Numerical results using real datasets show the superiority of FedNew compared to existing methods in terms of communication costs.

Semantic segmentation is the problem of assigning a class label to every pixel in an image, and is an important component of an autonomous vehicle vision stack for facilitating scene understanding and object detection. However, many of the top performing semantic segmentation models are extremely complex and cumbersome, and as such are not suited to deployment onboard autonomous vehicle platforms where computational resources are limited and low-latency operation is a vital requirement. In this survey, we take a thorough look at the works that aim to address this misalignment with more compact and efficient models capable of deployment on low-memory embedded systems while meeting the constraint of real-time inference. We discuss several of the most prominent works in the field, placing them within a taxonomy based on their major contributions, and finally we evaluate the inference speed of the discussed models under consistent hardware and software setups that represent a typical research environment with high-end GPU and a realistic deployed scenario using low-memory embedded GPU hardware. Our experimental results demonstrate that many works are capable of real-time performance on resource-constrained hardware, while illustrating the consistent trade-off between latency and accuracy.

Contemporary artificial neural networks (ANN) are trained end-to-end, jointly learning both features and classifiers for the task of interest. Though enormously effective, this paradigm imposes significant costs in assembling annotated task-specific datasets and training large-scale networks. We propose to decouple feature learning from downstream lung ultrasound tasks by introducing an auxiliary pre-task of visual biomarker classification. We demonstrate that one can learn an informative, concise, and interpretable feature space from ultrasound videos by training models for predicting biomarker labels. Notably, biomarker feature extractors can be trained from data annotated with weak video-scale supervision. These features can be used by a variety of downstream Expert models targeted for diverse clinical tasks (Diagnosis, lung severity, S/F ratio). Crucially, task-specific expert models are comparable in accuracy to end-to-end models directly trained for such target tasks, while being significantly lower cost to train.

Knowledge distillation is the procedure of transferring "knowledge" from a large model (the teacher) to a more compact one (the student), often being used in the context of model compression. When both models have the same architecture, this procedure is called self-distillation. Several works have anecdotally shown that a self-distilled student can outperform the teacher on held-out data. In this work, we systematically study self-distillation in a number of settings. We first show that even with a highly accurate teacher, self-distillation allows a student to surpass the teacher in all cases. Secondly, we revisit existing theoretical explanations of (self) distillation and identify contradicting examples, revealing possible drawbacks of these explanations. Finally, we provide an alternative explanation for the dynamics of self-distillation through the lens of loss landscape geometry. We conduct extensive experiments to show that self-distillation leads to flatter minima, thereby resulting in better generalization.

Offline reinforcement learning (RL) aims at learning policies from previously collected static trajectory data without interacting with the real environment. Recent works provide a novel perspective by viewing offline RL as a generic sequence generation problem, adopting sequence models such as Transformer architecture to model distributions over trajectories, and repurposing beam search as a planning algorithm. However, the training datasets utilized in general offline RL tasks are quite limited and often suffer from insufficient distribution coverage, which could be harmful to training sequence generation models yet has not drawn enough attention in the previous works. In this paper, we propose a novel algorithm named Bootstrapped Transformer, which incorporates the idea of bootstrapping and leverages the learned model to self-generate more offline data to further boost the sequence model training. We conduct extensive experiments on two offline RL benchmarks and demonstrate that our model can largely remedy the existing offline RL training limitations and beat other strong baseline methods. We also analyze the generated pseudo data and the revealed characteristics may shed some light on offline RL training. The codes are available at https://seqml.github.io/bootorl.

Larger Spiking Neural Network (SNN) models are typically favorable as they can offer higher accuracy. However, employing such models on the resource- and energy-constrained embedded platforms is inefficient. Towards this, we present a tinySNN framework that optimizes the memory and energy requirements of SNN processing in both the training and inference phases, while keeping the accuracy high. It is achieved by reducing the SNN operations, improving the learning quality, quantizing the SNN parameters, and selecting the appropriate SNN model. Furthermore, our tinySNN quantizes different SNN parameters (i.e., weights and neuron parameters) to maximize the compression while exploring different combinations of quantization schemes, precision levels, and rounding schemes to find the model that provides acceptable accuracy. The experimental results demonstrate that our tinySNN significantly reduces the memory footprint and the energy consumption of SNNs without accuracy loss as compared to the baseline network. Therefore, our tinySNN effectively compresses the given SNN model to achieve high accuracy in a memory- and energy-efficient manner, hence enabling the employment of SNNs for the resource- and energy-constrained embedded applications.

We study the private $k$-median and $k$-means clustering problem in $d$ dimensional Euclidean space. By leveraging tree embeddings, we give an efficient and easy to implement algorithm, that is empirically competitive with state of the art non private methods. We prove that our method computes a solution with cost at most $O(d^{3/2}\log n)\cdot OPT + O(k d^2 \log^2 n / \epsilon^2)$, where $\epsilon$ is the privacy guarantee. (The dimension term, $d$, can be replaced with $O(\log k)$ using standard dimension reduction techniques.) Although the worst-case guarantee is worse than that of state of the art private clustering methods, the algorithm we propose is practical, runs in near-linear, $\tilde{O}(nkd)$, time and scales to tens of millions of points. We also show that our method is amenable to parallelization in large-scale distributed computing environments. In particular we show that our private algorithms can be implemented in logarithmic number of MPC rounds in the sublinear memory regime. Finally, we complement our theoretical analysis with an empirical evaluation demonstrating the algorithm's efficiency and accuracy in comparison to other privacy clustering baselines.

Alzheimer's Disease (AD) is the most common neurodegenerative disorder with one of the most complex pathogeneses, making effective and clinically actionable decision support difficult. The objective of this study was to develop a novel multimodal deep learning framework to aid medical professionals in AD diagnosis. We present a Multimodal Alzheimer's Disease Diagnosis framework (MADDi) to accurately detect the presence of AD and mild cognitive impairment (MCI) from imaging, genetic, and clinical data. MADDi is novel in that we use cross-modal attention, which captures interactions between modalities - a method not previously explored in this domain. We perform multi-class classification, a challenging task considering the strong similarities between MCI and AD. We compare with previous state-of-the-art models, evaluate the importance of attention, and examine the contribution of each modality to the model's performance. MADDi classifies MCI, AD, and controls with 96.88% accuracy on a held-out test set. When examining the contribution of different attention schemes, we found that the combination of cross-modal attention with self-attention performed the best, and no attention layers in the model performed the worst, with a 7.9% difference in F1-Scores. Our experiments underlined the importance of structured clinical data to help machine learning models contextualize and interpret the remaining modalities. Extensive ablation studies showed that any multimodal mixture of input features without access to structured clinical information suffered marked performance losses. This study demonstrates the merit of combining multiple input modalities via cross-modal attention to deliver highly accurate AD diagnostic decision support.

Given a new dataset D and a low compute budget, how should we choose a pre-trained model to fine-tune to D, and set the fine-tuning hyperparameters without risking overfitting, particularly if D is small? Here, we extend automated machine learning (AutoML) to best make these choices. Our domain-independent meta-learning approach learns a zero-shot surrogate model which, at test time, allows to select the right deep learning (DL) pipeline (including the pre-trained model and fine-tuning hyperparameters) for a new dataset D given only trivial meta-features describing D such as image resolution or the number of classes. To train this zero-shot model, we collect performance data for many DL pipelines on a large collection of datasets and meta-train on this data to minimize a pairwise ranking objective. We evaluate our approach under the strict time limit of the vision track of the ChaLearn AutoDL challenge benchmark, clearly outperforming all challenge contenders.

We focus on the problem of adversarial attacks against models on discrete sequential data in the black-box setting where the attacker aims to craft adversarial examples with limited query access to the victim model. Existing black-box attacks, mostly based on greedy algorithms, find adversarial examples using pre-computed key positions to perturb, which severely limits the search space and might result in suboptimal solutions. To this end, we propose a query-efficient black-box attack using Bayesian optimization, which dynamically computes important positions using an automatic relevance determination (ARD) categorical kernel. We introduce block decomposition and history subsampling techniques to improve the scalability of Bayesian optimization when an input sequence becomes long. Moreover, we develop a post-optimization algorithm that finds adversarial examples with smaller perturbation size. Experiments on natural language and protein classification tasks demonstrate that our method consistently achieves higher attack success rate with significant reduction in query count and modification rate compared to the previous state-of-the-art methods.

The definition of a Neural Network architecture is one of the most critical and challenging tasks to perform. In this paper, we propose ParallelMLPs. ParallelMLPs is a procedure to enable the training of several independent Multilayer Perceptron Neural Networks with a different number of neurons and activation functions in parallel by exploring the principle of locality and parallelization capabilities of modern CPUs and GPUs. The core idea of this technique is to use a Modified Matrix Multiplication that replaces an ordinal matrix multiplication by two simple matrix operations that allow separate and independent paths for gradient flowing, which can be used in other scenarios. We have assessed our algorithm in simulated datasets varying the number of samples, features and batches using 10,000 different models. We achieved a training speedup from 1 to 4 orders of magnitude if compared to the sequential approach.

Pre-training on time series poses a unique challenge due to the potential mismatch between pre-training and target domains, such as shifts in temporal dynamics, fast-evolving trends, and long-range and short cyclic effects, which can lead to poor downstream performance. While domain adaptation methods can mitigate these shifts, most methods need examples directly from the target domain, making them suboptimal for pre-training. To address this challenge, methods need to accommodate target domains with different temporal dynamics and be capable of doing so without seeing any target examples during pre-training. Relative to other modalities, in time series, we expect that time-based and frequency-based representations of the same example are located close together in the time-frequency space. To this end, we posit that time-frequency consistency (TF-C) -- embedding a time-based neighborhood of a particular example close to its frequency-based neighborhood and back -- is desirable for pre-training. Motivated by TF-C, we define a decomposable pre-training model, where the self-supervised signal is provided by the distance between time and frequency components, each individually trained by contrastive estimation. We evaluate the new method on eight datasets, including electrodiagnostic testing, human activity recognition, mechanical fault detection, and physical status monitoring. Experiments against eight state-of-the-art methods show that TF-C outperforms baselines by 15.4% (F1 score) on average in one-to-one settings (e.g., fine-tuning an EEG-pretrained model on EMG data) and by up to 8.4% (F1 score) in challenging one-to-many settings, reflecting the breadth of scenarios that arise in real-world applications. The source code and datasets are available at https: //anonymous.4open.science/r/TFC-pretraining-6B07.

A common way to learn and analyze statistical models is to consider operations in the model parameter space. But what happens if we optimize in the parameter space and there is no one-to-one mapping between the parameter space and the underlying statistical model space? Such cases frequently occur for hierarchical models which include statistical mixtures or stochastic neural networks, and these models are said to be singular. Singular models reveal several important and well-studied problems in machine learning like the decrease in convergence speed of learning trajectories due to attractor behaviors. In this work, we propose a relative reparameterization technique of the parameter space, which yields a general method for extracting regular submodels from singular models. Our method enforces model identifiability during training and we study the learning dynamics for gradient descent and expectation maximization for Gaussian Mixture Models (GMMs) under relative parameterization, showing faster experimental convergence and a improved manifold shape of the dynamics around the singularity. Extending the analysis beyond GMMs, we furthermore analyze the Fisher information matrix under relative reparameterization and its influence on the generalization error, and show how the method can be applied to more complex models like deep neural networks.

Out-of-distribution (OOD) learning deals with scenarios in which training and test data follow different distributions. Although general OOD problems have been intensively studied in machine learning, graph OOD is only an emerging area of research. Currently, there lacks a systematic benchmark tailored to graph OOD method evaluation. In this work, we aim at developing an OOD benchmark, known as GOOD, for graphs specifically. We explicitly make distinctions between covariate and concept shifts and design data splits that accurately reflect different shifts. We consider both graph and node prediction tasks as there are key differences when designing shifts. Overall, GOOD contains 8 datasets with 14 domain selections. When combined with covariate, concept, and no shifts, we obtain 42 different splits. We provide performance results on 7 commonly used baseline methods with 10 random runs. This results in 294 dataset-model combinations in total. Our results show significant performance gaps between in-distribution and OOD settings. Our results also shed light on different performance trends between covariate and concept shifts by different methods. Our GOOD benchmark is a growing project and expects to expand in both quantity and variety of resources as the area develops. The GOOD benchmark can be accessed via $\href{https://github.com/divelab/GOOD/}{\text{https://github.com/divelab/GOOD/}}$.

Many real-world data can be modeled as 3D graphs, but learning representations that incorporates 3D information completely and efficiently is challenging. Existing methods either use partial 3D information, or suffer from excessive computational cost. To incorporate 3D information completely and efficiently, we propose a novel message passing scheme that operates within 1-hop neighborhood. Our method guarantees full completeness of 3D information on 3D graphs by achieving global and local completeness. Notably, we propose the important rotation angles to fulfill global completeness. Additionally, we show that our method is orders of magnitude faster than prior methods. We provide rigorous proof of completeness and analysis of time complexity for our methods. As molecules are in essence quantum systems, we build the \underline{com}plete and \underline{e}fficient graph neural network (ComENet) by combing quantum inspired basis functions and the proposed message passing scheme. Experimental results demonstrate the capability and efficiency of ComENet, especially on real-world datasets that are large in both numbers and sizes of graphs. Our code is publicly available as part of the DIG library (\url{https://github.com/divelab/DIG}).

Machine Learning-as-a-Service (MLaaS) has become a widespread paradigm, making even the most complex machine learning models available for clients via e.g. a pay-per-query principle. This allows users to avoid time-consuming processes of data collection, hyperparameter tuning, and model training. However, by giving their customers access to the (predictions of their) models, MLaaS providers endanger their intellectual property, such as sensitive training data, optimised hyperparameters, or learned model parameters. Adversaries can create a copy of the model with (almost) identical behavior using the the prediction labels only. While many variants of this attack have been described, only scattered defence strategies have been proposed, addressing isolated threats. This raises the necessity for a thorough systematisation of the field of model stealing, to arrive at a comprehensive understanding why these attacks are successful, and how they could be holistically defended against. We address this by categorising and comparing model stealing attacks, assessing their performance, and exploring corresponding defence techniques in different settings. We propose a taxonomy for attack and defence approaches, and provide guidelines on how to select the right attack or defence strategy based on the goal and available resources. Finally, we analyse which defences are rendered less effective by current attack strategies.

We propose a new bootstrap-based online algorithm for stochastic linear bandit problems. The key idea is to adopt residual bootstrap exploration, in which the agent estimates the next step reward by re-sampling the residuals of mean reward estimate. Our algorithm, residual bootstrap exploration for stochastic linear bandit (\texttt{LinReBoot}), estimates the linear reward from its re-sampling distribution and pulls the arm with the highest reward estimate. In particular, we contribute a theoretical framework to demystify residual bootstrap-based exploration mechanisms in stochastic linear bandit problems. The key insight is that the strength of bootstrap exploration is based on collaborated optimism between the online-learned model and the re-sampling distribution of residuals. Such observation enables us to show that the proposed \texttt{LinReBoot} secure a high-probability $\tilde{O}(d \sqrt{n})$ sub-linear regret under mild conditions. Our experiments support the easy generalizability of the \texttt{ReBoot} principle in the various formulations of linear bandit problems and show the significant computational efficiency of \texttt{LinReBoot}.

A large number of neural network models of associative memory have been proposed in the literature. These include the classical Hopfield networks (HNs), sparse distributed memories (SDMs), and more recently the modern continuous Hopfield networks (MCHNs), which possesses close links with self-attention in machine learning. In this paper, we propose a general framework for understanding the operation of such memory networks as a sequence of three operations: similarity, separation, and projection. We derive all these memory models as instances of our general framework with differing similarity and separation functions. We extend the mathematical framework of Krotov et al (2020) to express general associative memory models using neural network dynamics with only second-order interactions between neurons, and derive a general energy function that is a Lyapunov function of the dynamics. Finally, using our framework, we empirically investigate the capacity of using different similarity functions for these associative memory models, beyond the dot product similarity measure, and demonstrate empirically that Euclidean or Manhattan distance similarity metrics perform substantially better in practice on many tasks, enabling a more robust retrieval and higher memory capacity than existing models.

Despite the growing availability of high-capacity computational platforms, implementation complexity still has been a great concern for the real-world deployment of neural networks. This concern is not exclusively due to the huge costs of state-of-the-art network architectures, but also due to the recent push towards edge intelligence and the use of neural networks in embedded applications. In this context, network compression techniques have been gaining interest due to their ability for reducing deployment costs while keeping inference accuracy at satisfactory levels. The present paper is dedicated to the development of a novel compression scheme for neural networks. To this end, a new $\ell_0$-norm-based regularization approach is firstly developed, which is capable of inducing strong sparseness in the network during training. Then, targeting the smaller weights of the trained network with pruning techniques, smaller yet highly effective networks can be obtained. The proposed compression scheme also involves the use of $\ell_2$-norm regularization to avoid overfitting as well as fine tuning to improve the performance of the pruned network. Experimental results are presented aiming to show the effectiveness of the proposed scheme as well as to make comparisons with competing approaches.

In the last years decision-focused learning framework, also known as predict-and-optimize, have received increasing attention. In this setting, the predictions of a machine learning model are used as estimated cost coefficients in the objective function of a discrete combinatorial optimization problem for decision making. Decision-focused learning proposes to train the ML models, often neural network models, by directly optimizing the quality of decisions made by the optimization solvers. Based on a recent work that proposed a noise contrastive estimation loss over a subset of the solution space, we observe that decision-focused learning can more generally be seen as a learning-to-rank problem, where the goal is to learn an objective function that ranks the feasible points correctly. This observation is independent of the optimization method used and of the form of the objective function. We develop pointwise, pairwise and listwise ranking loss functions, which can be differentiated in closed form given a subset of solutions. We empirically investigate the quality of our generic methods compared to existing decision-focused learning approaches with competitive results. Furthermore, controlling the subset of solutions allows controlling the runtime considerably, with limited effect on regret.

Deep learning models are found to be vulnerable to adversarial examples, as wrong predictions can be caused by small perturbation in input for deep learning models. Most of the existing works of adversarial image generation try to achieve attacks for most models, while few of them make efforts on guaranteeing the perceptual quality of the adversarial examples. High quality adversarial examples matter for many applications, especially for the privacy preserving. In this work, we develop a framework based on the Minimum Noticeable Difference (MND) concept to generate adversarial privacy preserving images that have minimum perceptual difference from the clean ones but are able to attack deep learning models. To achieve this, an adversarial loss is firstly proposed to make the deep learning models attacked by the adversarial images successfully. Then, a perceptual quality-preserving loss is developed by taking the magnitude of perturbation and perturbation-caused structural and gradient changes into account, which aims to preserve high perceptual quality for adversarial image generation. To the best of our knowledge, this is the first work on exploring quality-preserving adversarial image generation based on the MND concept for privacy preserving. To evaluate its performance in terms of perceptual quality, the deep models on image classification and face recognition are tested with the proposed method and several anchor methods in this work. Extensive experimental results demonstrate that the proposed MND framework is capable of generating adversarial images with remarkably improved performance metrics (e.g., PSNR, SSIM, and MOS) than that generated with the anchor methods.

Computational simulations of wildfire spread typically employ empirical rate-of-spread calculations under various conditions (such as terrain, fuel type, weather). Small perturbations in conditions can often lead to significant changes in fire spread (such as speed and direction), necessitating a computationally expensive large set of simulations to quantify uncertainty. Model emulation seeks alternative representations of physical models using machine learning, aiming to provide more efficient and/or simplified surrogate models. We propose a dedicated spatio-temporal neural network based framework for model emulation, able to capture the complex behaviour of fire spread models. The proposed approach can approximate forecasts at fine spatial and temporal resolutions that are often challenging for neural network based approaches. Furthermore, the proposed approach is robust even with small training sets, due to novel data augmentation methods. Empirical experiments show good agreement between simulated and emulated firefronts, with an average Jaccard score of 0.76.

The problem of learning functions over spaces of probabilities - or distribution regression - is gaining significant interest in the machine learning community. A key challenge behind this problem is to identify a suitable representation capturing all relevant properties of the underlying functional mapping. A principled approach to distribution regression is provided by kernel mean embeddings, which lifts kernel-induced similarity on the input domain at the probability level. This strategy effectively tackles the two-stage sampling nature of the problem, enabling one to derive estimators with strong statistical guarantees, such as universal consistency and excess risk bounds. However, kernel mean embeddings implicitly hinge on the maximum mean discrepancy (MMD), a metric on probabilities, which may fail to capture key geometrical relations between distributions. In contrast, optimal transport (OT) metrics, are potentially more appealing. In this work, we propose an OT-based estimator for distribution regression. We build on the Sliced Wasserstein distance to obtain an OT-based representation. We study the theoretical properties of a kernel ridge regression estimator based on such representation, for which we prove universal consistency and excess risk bounds. Preliminary experiments complement our theoretical findings by showing the effectiveness of the proposed approach and compare it with MMD-based estimators.  ( 2 min )

Stochastic gradient descent (SGD) is widely used in deep learning due to its computational efficiency, but a complete understanding of why SGD performs so well remains a major challenge. It has been observed empirically that most eigenvalues of the Hessian of the loss functions on the loss landscape of over-parametrized deep neural networks are close to zero, while only a small number of eigenvalues are large. Zero eigenvalues indicate zero diffusion along the corresponding directions. This indicates that the process of minima selection mainly happens in the relatively low-dimensional subspace corresponding to the top eigenvalues of the Hessian. Although the parameter space is very high-dimensional, these findings seems to indicate that the SGD dynamics may mainly live on a low-dimensional manifold. In this paper, we pursue a truly data driven approach to the problem of getting a potentially deeper understanding of the high-dimensional parameter surface, and in particular, of the landscape traced out by SGD by analyzing the data generated through SGD, or any other optimizer for that matter, in order to possibly discover (local) low-dimensional representations of the optimization landscape. As our vehicle for the exploration, we use diffusion maps introduced by R. Coifman and coauthors.  ( 2 min )

In probably approximately correct (PAC) reinforcement learning (RL), an agent is required to identify an $\epsilon$-optimal policy with probability $1-\delta$. While minimax optimal algorithms exist for this problem, its instance-dependent complexity remains elusive in episodic Markov decision processes (MDPs). In this paper, we propose the first (nearly) matching upper and lower bounds on the sample complexity of PAC RL in deterministic episodic MDPs with finite state and action spaces. In particular, our bounds feature a new notion of sub-optimality gap for state-action pairs that we call the deterministic return gap. While our instance-dependent lower bound is written as a linear program, our algorithms are very simple and do not require solving such an optimization problem during learning. Their design and analyses employ novel ideas, including graph-theoretical concepts such as minimum flows and maximum cuts, which we believe to shed new light on this problem.  ( 2 min )

Generative adversarial networks (GANs), a class of distribution-learning methods based on a two-player game between a generator and a discriminator, can generally be formulated as a minmax problem based on the variational representation of a divergence between the unknown and the generated distributions. We introduce structure-preserving GANs as a data-efficient framework for learning distributions with additional structure such as group symmetry, by developing new variational representations for divergences. Our theory shows that we can reduce the discriminator space to its projection on the invariant discriminator space, using the conditional expectation with respect to the sigma-algebra associated to the underlying structure. In addition, we prove that the discriminator space reduction must be accompanied by a careful design of structured generators, as flawed designs may easily lead to a catastrophic "mode collapse" of the learned distribution. We contextualize our framework by building symmetry-preserving GANs for distributions with intrinsic group symmetry, and demonstrate that both players, namely the equivariant generator and invariant discriminator, play important but distinct roles in the learning process. Empirical experiments and ablation studies across a broad range of data sets, including real-world medical imaging, validate our theory, and show our proposed methods achieve significantly improved sample fidelity and diversity -- almost an order of magnitude measured in Fr\'echet Inception Distance -- especially in the small data regime.  ( 3 min )

We present Bayesian Spillover Graphs (BSG), a novel method for learning temporal relationships, identifying critical nodes, and quantifying uncertainty for multi-horizon spillover effects in a dynamic system. BSG leverages both an interpretable framework via forecast error variance decompositions (FEVD) and comprehensive uncertainty quantification via Bayesian time series models to contextualize temporal relationships in terms of systemic risk and prediction variability. Forecast horizon hyperparameter $h$ allows for learning both short-term and equilibrium state network behaviors. Experiments for identifying source and sink nodes under various graph and error specifications show significant performance gains against state-of-the-art Bayesian Networks and deep-learning baselines. Applications to real-world systems also showcase BSG as an exploratory analysis tool for uncovering indirect spillovers and quantifying systemic risk.  ( 2 min )

Covariate-shift generalization, a typical case in out-of-distribution (OOD) generalization, requires a good performance on the unknown test distribution, which varies from the accessible training distribution in the form of covariate shift. Recently, independence-driven importance weighting algorithms in stable learning literature have shown empirical effectiveness to deal with covariate-shift generalization on several learning models, including regression algorithms and deep neural networks, while their theoretical analyses are missing. In this paper, we theoretically prove the effectiveness of such algorithms by explaining them as feature selection processes. We first specify a set of variables, named minimal stable variable set, that is the minimal and optimal set of variables to deal with covariate-shift generalization for common loss functions, such as the mean squared loss and binary cross-entropy loss. Afterward, we prove that under ideal conditions, independence-driven importance weighting algorithms could identify the variables in this set. Analysis of asymptotic properties is also provided. These theories are further validated in several synthetic experiments.  ( 2 min )

Many problems in machine learning can be formulated as optimizing a convex functional over a space of measures. This paper studies the convergence of the mirror descent algorithm in this infinite-dimensional setting. Defining Bregman divergences through directional derivatives, we derive the convergence of the scheme for relatively smooth and strongly convex pairs of functionals. Applying our result to joint distributions and the Kullback--Leibler (KL) divergence, we show that Sinkhorn's primal iterations for entropic optimal transport in the continuous setting correspond to a mirror descent, and we obtain a new proof of its (sub)linear convergence. We also show that Expectation Maximization (EM) can always formally be written as a mirror descent, and, when optimizing on the latent distribution while fixing the mixtures, we derive sublinear rates of convergence.  ( 2 min )

Modeling and predicting solar events, particularly the solar ramping event, is critical for improving situational awareness for solar power generation systems. It has been acknowledged that weather conditions such as temperature, humidity, and cloud density can significantly impact the emergence and position of solar ramping events. As a result, modeling these events with complex spatio-temporal correlations is highly challenging. To tackle the question, we adopt a novel spatio-temporal categorical point process model, which intuitively and effectively addresses correlation and interaction among ramping events. We demonstrate the interpretability and predictive power of our model on extensive real-data experiments.  ( 2 min )

We describe a novel lossy compression approach called DiffC which is based on unconditional diffusion generative models. Unlike modern compression schemes which rely on transform coding and quantization to restrict the transmitted information, DiffC relies on the efficient communication of pixels corrupted by Gaussian noise. We implement a proof of concept and find that it works surprisingly well despite the lack of an encoder transform, outperforming the state-of-the-art generative compression method HiFiC on ImageNet 64x64. DiffC only uses a single model to encode and denoise corrupted pixels at arbitrary bitrates. The approach further provides support for progressive coding, that is, decoding from partial bit streams. We perform a rate-distortion analysis to gain a deeper understanding of its performance, providing analytical results for multivariate Gaussian data as well as initial results for general distributions. Furthermore, we show that a flow-based reconstruction achieves a 3 dB gain over ancestral sampling at high bitrates.  ( 2 min )

In the pursuit of explaining implicit regularization in deep learning, prominent focus was given to matrix and tensor factorizations, which correspond to simplified neural networks. It was shown that these models exhibit an implicit tendency towards low matrix and tensor ranks, respectively. Drawing closer to practical deep learning, the current paper theoretically analyzes the implicit regularization in hierarchical tensor factorization, a model equivalent to certain deep convolutional neural networks. Through a dynamical systems lens, we overcome challenges associated with hierarchy, and establish implicit regularization towards low hierarchical tensor rank. This translates to an implicit regularization towards locality for the associated convolutional networks. Inspired by our theory, we design explicit regularization discouraging locality, and demonstrate its ability to improve the performance of modern convolutional networks on non-local tasks, in defiance of conventional wisdom by which architectural changes are needed. Our work highlights the potential of enhancing neural networks via theoretical analysis of their implicit regularization.  ( 2 min )

I consider a setting where reviewers offer very noisy scores for several items for the selection of high-quality ones (e.g., peer review of large conference proceedings), whereas the owner of these items knows the true underlying scores but prefers not to provide this information. To address this withholding of information, in this paper, I introduce the Isotonic Mechanism, a simple and efficient approach to improving imprecise raw scores by leveraging certain information that the owner is incentivized to provide. This mechanism takes the ranking of the items from best to worst provided by the owner as input, in addition to the raw scores provided by the reviewers. It reports the adjusted scores for the items by solving a convex optimization problem. Under certain conditions, I show that the owner's optimal strategy is to honestly report the true ranking of the items to her best knowledge in order to maximize the expected utility. Moreover, I prove that the adjusted scores provided by this owner-assisted mechanism are significantly more accurate than the raw scores provided by the reviewers. This paper concludes with several extensions of the Isotonic Mechanism and some refinements of the mechanism for practical consideration.  ( 3 min )

Policy Gradient (PG) algorithms are among the best candidates for the much-anticipated applications of reinforcement learning to real-world control tasks, such as robotics. However, the trial-and-error nature of these methods poses safety issues whenever the learning process itself must be performed on a physical system or involves any form of human-computer interaction. In this paper, we address a specific safety formulation, where both goals and dangers are encoded in a scalar reward signal and the learning agent is constrained to never worsen its performance, measured as the expected sum of rewards. By studying actor-only policy gradient from a stochastic optimization perspective, we establish improvement guarantees for a wide class of parametric policies, generalizing existing results on Gaussian policies. This, together with novel upper bounds on the variance of policy gradient estimators, allows us to identify meta-parameter schedules that guarantee monotonic improvement with high probability. The two key meta-parameters are the step size of the parameter updates and the batch size of the gradient estimates. Through a joint, adaptive selection of these meta-parameters, we obtain a policy gradient algorithm with monotonic improvement guarantees.  ( 2 min )

Recently, deep neural networks have gained increasing popularity in the field of time series forecasting. A primary reason for their success is their ability to effectively capture complex temporal dynamics across multiple related time series. The advantages of these deep forecasters only start to emerge in the presence of a sufficient amount of data. This poses a challenge for typical forecasting problems in practice, where there is a limited number of time series or observations per time series, or both. To cope with this data scarcity issue, we propose a novel domain adaptation framework, Domain Adaptation Forecaster (DAF). DAF leverages statistical strengths from a relevant domain with abundant data samples (source) to improve the performance on the domain of interest with limited data (target). In particular, we use an attention-based shared module with a domain discriminator across domains and private modules for individual domains. We induce domain-invariant latent features (queries and keys) and retrain domain-specific features (values) simultaneously to enable joint training of forecasters on source and target domains. A main insight is that our design of aligning keys allows the target domain to leverage source time series even with different characteristics. Extensive experiments on various domains demonstrate that our proposed method outperforms state-of-the-art baselines on synthetic and real-world datasets, and ablation studies verify the effectiveness of our design choices.  ( 3 min )

In this paper, we study a class of bilevel optimization problems, also known as simple bilevel optimization, where we minimize a smooth objective function over the optimal solution set of another convex constrained optimization problem. Several iterative methods have been developed for tackling this class of problems. Alas, their convergence guarantees are not satisfactory as they are either asymptotic for the upper-level objective, or the convergence rates are slow and sub-optimal. To address this issue, in this paper, we introduce a generalization of the Frank-Wolfe (FW) method to solve the considered problem. The main idea of our method is to locally approximate the solution set of the lower-level problem via a cutting plane, and then run a FW-type update to decrease the upper-level objective. When the upper-level objective is convex, we show that our method requires ${\mathcal{O}}(\max\{1/\epsilon_f,1/\epsilon_g\})$ iterations to find a solution that is $\epsilon_f$-optimal for the upper-level objective and $\epsilon_g$-optimal for the lower-level objective. Moreover, when the upper-level objective is non-convex, our method requires ${\mathcal{O}}(\max\{1/\epsilon_f^2,1/(\epsilon_f\epsilon_g)\})$ iterations to find an $(\epsilon_f,\epsilon_g)$-optimal solution. We further prove stronger convergence guarantees under the H\"olderian error bound assumption on the lower-level problem. To the best of our knowledge, our method achieves the best-known iteration complexity for the considered bilevel problem. We also present numerical experiments to showcase the superior performance of our method compared with state-of-the-art methods.  ( 2 min )

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree. Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.  ( 2 min )

Two-sample tests are important in statistics and machine learning, both as tools for scientific discovery as well as to detect distribution shifts. This led to the development of many sophisticated test procedures going beyond the standard supervised learning frameworks, whose usage can require specialized knowledge about two-sample testing. We use a simple test that takes the mean discrepancy of a witness function as the test statistic and prove that minimizing a squared loss leads to a witness with optimal testing power. This allows us to leverage recent advancements in AutoML. Without any user input about the problems at hand, and using the same method for all our experiments, our AutoML two-sample test achieves competitive performance on a diverse distribution shift benchmark as well as on challenging two-sample testing problems. We provide an implementation of the AutoML two-sample test in the Python package autotst.  ( 2 min )

We introduce a new library named abess that implements a unified framework of best-subset selection for solving diverse machine learning problems, e.g., linear regression, classification, and principal component analysis. Particularly, the abess certifiably gets the optimal solution within polynomial times with high probability under the linear model. Our efficient implementation allows abess to attain the solution of best-subset selection problems as fast as or even 20x faster than existing competing variable (model) selection toolboxes. Furthermore, it supports common variants like best group subset selection and $\ell_2$ regularized best-subset selection. The core of the library is programmed in C++. For ease of use, a Python library is designed for conveniently integrating with scikit-learn, and it can be installed from the Python library Index. In addition, a user-friendly R library is available at the Comprehensive R Archive Network. The source code is available at: https://github.com/abess-team/abess.  ( 2 min )

The vulnerability of machine learning models to spurious correlations has mostly been discussed in the context of supervised learning (SL). However, there is a lack of insight on how spurious correlations affect the performance of popular self-supervised learning (SSL) and auto-encoder based models (AE). In this work, we shed light on this by evaluating the performance of these models on both real world and synthetic distribution shift datasets. Following observations that the linear head itself can be susceptible to spurious correlations, we develop a novel evaluation scheme with the linear head trained on out-of-distribution (OOD) data, to isolate the performance of the pre-trained models from a potential bias of the linear head used for evaluation. With this new methodology, we show that SSL models are consistently more robust to distribution shifts and thus better at OOD generalisation than AE and SL models.  ( 2 min )

We propose a new bootstrap-based online algorithm for stochastic linear bandit problems. The key idea is to adopt residual bootstrap exploration, in which the agent estimates the next step reward by re-sampling the residuals of mean reward estimate. Our algorithm, residual bootstrap exploration for stochastic linear bandit (\texttt{LinReBoot}), estimates the linear reward from its re-sampling distribution and pulls the arm with the highest reward estimate. In particular, we contribute a theoretical framework to demystify residual bootstrap-based exploration mechanisms in stochastic linear bandit problems. The key insight is that the strength of bootstrap exploration is based on collaborated optimism between the online-learned model and the re-sampling distribution of residuals. Such observation enables us to show that the proposed \texttt{LinReBoot} secure a high-probability $\tilde{O}(d \sqrt{n})$ sub-linear regret under mild conditions. Our experiments support the easy generalizability of the \texttt{ReBoot} principle in the various formulations of linear bandit problems and show the significant computational efficiency of \texttt{LinReBoot}.

A common way to learn and analyze statistical models is to consider operations in the model parameter space. But what happens if we optimize in the parameter space and there is no one-to-one mapping between the parameter space and the underlying statistical model space? Such cases frequently occur for hierarchical models which include statistical mixtures or stochastic neural networks, and these models are said to be singular. Singular models reveal several important and well-studied problems in machine learning like the decrease in convergence speed of learning trajectories due to attractor behaviors. In this work, we propose a relative reparameterization technique of the parameter space, which yields a general method for extracting regular submodels from singular models. Our method enforces model identifiability during training and we study the learning dynamics for gradient descent and expectation maximization for Gaussian Mixture Models (GMMs) under relative parameterization, showing faster experimental convergence and a improved manifold shape of the dynamics around the singularity. Extending the analysis beyond GMMs, we furthermore analyze the Fisher information matrix under relative reparameterization and its influence on the generalization error, and show how the method can be applied to more complex models like deep neural networks.

Obtaining reliable, adaptive confidence sets for prediction functions (hypotheses) is a central challenge in sequential decision-making tasks, such as bandits and model-based reinforcement learning. These confidence sets typically rely on prior assumptions on the hypothesis space, e.g., the known kernel of a Reproducing Kernel Hilbert Space (RKHS). Hand-designing such kernels is error prone, and misspecification may lead to poor or unsafe performance. In this work, we propose to meta-learn a kernel from offline data (Meta-KeL). For the case where the unknown kernel is a combination of known base kernels, we develop an estimator based on structured sparsity. Under mild conditions, we guarantee that our estimated RKHS yields valid confidence sets that, with increasing amounts of offline data, become as tight as those given the true unknown kernel. We demonstrate our approach on the kernelized bandit problem (a.k.a.~Bayesian optimization), where we establish regret bounds competitive with those given the true kernel. We also empirically evaluate the effectiveness of our approach on a Bayesian optimization task.

End-to-end learning of dynamical systems with black-box models, such as neural ordinary differential equations (ODEs), provides a flexible framework for learning dynamics from data without prescribing a mathematical model for the dynamics. Unfortunately, this flexibility comes at the cost of understanding the dynamical system, for which ODEs are used ubiquitously. Further, experimental data are collected under various conditions (inputs), such as treatments, or grouped in some way, such as part of sub-populations. Understanding the effects of these system inputs on system outputs is crucial to have any meaningful model of a dynamical system. To that end, we propose a structured latent ODE model that explicitly captures system input variations within its latent representation. Building on a static latent variable specification, our model learns (independent) stochastic factors of variation for each input to the system, thus separating the effects of the system inputs in the latent space. This approach provides actionable modeling through the controlled generation of time-series data for novel input combinations (or perturbations). Additionally, we propose a flexible approach for quantifying uncertainties, leveraging a quantile regression formulation. Results on challenging biological datasets show consistent improvements over competitive baselines in the controlled generation of observational data and inference of biologically meaningful system inputs.

We study the tensor-on-tensor regression, where the goal is to connect tensor responses to tensor covariates with a low Tucker rank parameter tensor/matrix without the prior knowledge of its intrinsic rank. We propose the Riemannian gradient descent (RGD) and Riemannian Gauss-Newton (RGN) methods and cope with the challenge of unknown rank by studying the effect of rank over-parameterization. We provide the first convergence guarantee for the general tensor-on-tensor regression by showing that RGD and RGN respectively converge linearly and quadratically to a statistically optimal estimate in both rank correctly-parameterized and over-parameterized settings. Our theory reveals an intriguing phenomenon: Riemannian optimization methods naturally adapt to over-parameterization without modifications to their implementation. We also give the first rigorous evidence for the statistical-computational gap in scalar-on-tensor regression under the low-degree polynomials framework. Our theory demonstrates a ``blessing of statistical-computational gap" phenomenon: in a wide range of scenarios in tensor-on-tensor regression for tensors of order three or higher, the computationally required sample size matches what is needed by moderate rank over-parameterization when considering computationally feasible estimators, while there are no such benefits in the matrix settings. This shows moderate rank over-parameterization is essentially ``cost-free" in terms of sample size in tensor-on-tensor regression of order three or higher. Finally, we conduct simulation studies to show the advantages of our proposed methods and to corroborate our theoretical findings.

We propose simple active sampling and reweighting strategies for optimizing min-max fairness that can be applied to any classification or regression model learned via loss minimization. The key intuition behind our approach is to use at each timestep a datapoint from the group that is worst off under the current model for updating the model. The ease of implementation and the generality of our robust formulation make it an attractive option for improving model performance on disadvantaged groups. For convex learning problems, such as linear or logistic regression, we provide a fine-grained analysis, proving the rate of convergence to a min-max fair solution.

Analysis of short text, such as social media posts, is extremely difficult because of their inherent brevity. In addition to classifying topics of such posts, a common downstream task is grouping the authors of these documents for subsequent analyses. We propose a novel model that expands on the Latent Dirichlet Allocation by modeling strong dependence among the words in the same document, with user-level topic distributions. We also simultaneously cluster users, removing the need for post-hoc cluster estimation and improving topic estimation by shrinking noisy user-level topic distributions towards typical values. Our method performs as well as -- or better -- than traditional approaches, and we demonstrate its usefulness on a dataset of tweets from United States Senators, recovering both meaningful topics and clusters that reflect partisan ideology. We also develop a novel measure of echo chambers among these politicians by characterizing insularity of topics discussed by groups of Senators and provide uncertainty quantification.

Bayesian approaches developed to solve the optimal design of sequential experiments are mathematically elegant but computationally challenging. Recently, techniques using amortization have been proposed to make these Bayesian approaches practical, by training a parameterized policy that proposes designs efficiently at deployment time. However, these methods may not sufficiently explore the design space, require access to a differentiable probabilistic model and can only optimize over continuous design spaces. Here, we address these limitations by showing that the problem of optimizing policies can be reduced to solving a Markov decision process (MDP). We solve the equivalent MDP with modern deep reinforcement learning techniques. Our experiments show that our approach is also computationally efficient at deployment time and exhibits state-of-the-art performance on both continuous and discrete design spaces, even when the probabilistic model is a black box.

We generalize the multiple-play multi-armed bandits (MP-MAB) problem with a shareable arm setting, in which several plays can share the same arm. Furthermore, each shareable arm has a finite reward capacity and a ''per-load'' reward distribution, both of which are unknown to the learner. The reward from a shareable arm is load-dependent, which is the "per-load" reward multiplying either the number of plays pulling the arm, or its reward capacity when the number of plays exceeds the capacity limit. When the "per-load" reward follows a Gaussian distribution, we prove a sample complexity lower bound of learning the capacity from load-dependent rewards and also a regret lower bound of this new MP-MAB problem. We devise a capacity estimator whose sample complexity upper bound matches the lower bound in terms of reward means and capacities. We also propose an online learning algorithm to address the problem and prove its regret upper bound. This regret upper bound's first term is the same as regret lower bound's, and its second and third terms also evidently correspond to lower bound's. Extensive experiments validate our algorithm's performance and also its gain in 5G & 4G base station selection.

We consider the task of self-supervised representation learning (SSL) for tabular data: tabular-SSL. Typical contrastive learning based SSL methods require instance-wise data augmentations which are difficult to design for unstructured tabular data. Existing tabular-SSL methods design such augmentations in a relatively ad-hoc fashion and can fail to capture the underlying data manifold. Instead of augmentations based approaches for tabular-SSL, we propose a new reconstruction based method, called Masked Encoding for Tabular Data (MET), that does not require augmentations. MET is based on the popular MAE approach for vision-SSL [He et al., 2021] and uses two key ideas: (i) since each coordinate in a tabular dataset has a distinct meaning, we need to use separate representations for all coordinates, and (ii) using an adversarial reconstruction loss in addition to the standard one. Empirical results on five diverse tabular datasets show that MET achieves a new state of the art (SOTA) on all of these datasets and improves up to 9% over current SOTA methods. We shed more light on the working of MET via experiments on carefully designed simple datasets.

Newton-type methods are popular in federated learning due to their fast convergence. Still, they suffer from two main issues, namely: low communication efficiency and low privacy due to the requirement of sending Hessian information from clients to parameter server (PS). In this work, we introduced a novel framework called FedNew in which there is no need to transmit Hessian information from clients to PS, hence resolving the bottleneck to improve communication efficiency. In addition, FedNew hides the gradient information and results in a privacy-preserving approach compared to the existing state-of-the-art. The core novel idea in FedNew is to introduce a two level framework, and alternate between updating the inverse Hessian-gradient product using only one alternating direction method of multipliers (ADMM) step and then performing the global model update using Newton's method. Though only one ADMM pass is used to approximate the inverse Hessian-gradient product at each iteration, we develop a novel theoretical approach to show the converging behavior of FedNew for convex problems. Additionally, a significant reduction in communication overhead is achieved by utilizing stochastic quantization. Numerical results using real datasets show the superiority of FedNew compared to existing methods in terms of communication costs.

Sliced mutual information (SMI) is defined as an average of mutual information (MI) terms between one-dimensional random projections of the random variables. It serves as a surrogate measure of dependence to classic MI that preserves many of its properties but is more scalable to high dimensions. However, a quantitative characterization of how SMI itself and estimation rates thereof depend on the ambient dimension, which is crucial to the understanding of scalability, remain obscure. This works extends the original SMI definition to $k$-SMI, which considers projections to $k$-dimensional subspaces, and provides a multifaceted account on its dependence on dimension. Using a new result on the continuity of differential entropy in the 2-Wasserstein metric, we derive sharp bounds on the error of Monte Carlo (MC)-based estimates of $k$-SMI, with explicit dependence on $k$ and the ambient dimension, revealing their interplay with the number of samples. We then combine the MC integrator with the neural estimation framework to provide an end-to-end $k$-SMI estimator, for which optimal convergence rates are established. We also explore asymptotics of the population $k$-SMI as dimension grows, providing Gaussian approximation results with a residual that decays under appropriate moment bounds. Our theory is validated with numerical experiments and is applied to sliced InfoGAN, which altogether provide a comprehensive quantitative account of the scalability question of $k$-SMI, including SMI as a special case when $k=1$.

Modern deep learning systems are increasingly deployed in situations such as personalization and federated learning where it is necessary to support i) learning on small amounts of data, and ii) communication efficient distributed training protocols. In this work we develop FiLM Transfer (FiT) which fulfills these requirements in the image classification setting. FiT uses an automatically configured Naive Bayes classifier on top of a fixed backbone that has been pretrained on large image datasets. Parameter efficient FiLM layers are used to modulate the backbone, shaping the representation for the downstream task. The network is trained via an episodic fine-tuning protocol. The approach is parameter efficient which is key for enabling few-shot learning, inexpensive model updates for personalization, and communication efficient federated learning. We experiment with FiT on a wide range of downstream datasets and show that it achieves better classification accuracy than the state-of-the-art Big Transfer (BiT) algorithm at low-shot and on the challenging VTAB-1k benchmark, with fewer than 1% of the updateable parameters. Finally, we demonstrate the parameter efficiency of FiT in distributed low-shot applications including model personalization and federated learning where model update size is an important performance metric.

In a nonparametric setting, the causal structure is often identifiable only up to Markov equivalence, and for the purpose of causal inference, it is useful to learn a graphical representation of the Markov equivalence class (MEC). In this paper, we revisit the Greedy Equivalence Search (GES) algorithm, which is widely cited as a score-based algorithm for learning the MEC of the underlying causal structure. We observe that in order to make the GES algorithm consistent in a nonparametric setting, it is not necessary to design a scoring metric that evaluates graphs. Instead, it suffices to plug in a consistent estimator of a measure of conditional dependence to guide the search. We therefore present a reframing of the GES algorithm, which is more flexible than the standard score-based version and readily lends itself to the nonparametric setting with a general measure of conditional dependence. In addition, we propose a neural conditional dependence (NCD) measure, which utilizes the expressive power of deep neural networks to characterize conditional independence in a nonparametric manner. We establish the optimality of the reframed GES algorithm under standard assumptions and the consistency of using our NCD estimator to decide conditional independence. Together these results justify the proposed approach. Experimental results demonstrate the effectiveness of our method in causal discovery, as well as the advantages of using our NCD measure over kernel-based measures.

The linearised Laplace method for estimating model uncertainty has received renewed attention in the Bayesian deep learning community. The method provides reliable error bars and admits a closed-form expression for the model evidence, allowing for scalable selection of model hyperparameters. In this work, we examine the assumptions behind this method, particularly in conjunction with model selection. We show that these interact poorly with some now-standard tools of deep learning--stochastic approximation methods and normalisation layers--and make recommendations for how to better adapt this classic method to the modern setting. We provide theoretical support for our recommendations and validate them empirically on MLPs, classic CNNs, residual networks with and without normalisation layers, generative autoencoders and transformers.

The Receptive Field (RF) size has been one of the most important factors for One Dimensional Convolutional Neural Networks (1D-CNNs) on time series classification tasks. Large efforts have been taken to choose the appropriate size because it has a huge influence on the performance and differs significantly for each dataset. In this paper, we propose an Omni-Scale block (OS-block) for 1D-CNNs, where the kernel sizes are decided by a simple and universal rule. Particularly, it is a set of kernel sizes that can efficiently cover the best RF size across different datasets via consisting of multiple prime numbers according to the length of the time series. The experiment result shows that models with the OS-block can achieve a similar performance as models with the searched optimal RF size and due to the strong optimal RF size capture ability, simple 1D-CNN models with OS-block achieves the state-of-the-art performance on four time series benchmarks, including both univariate and multivariate data from multiple domains. Comprehensive analysis and discussions shed light on why the OS-block can capture optimal RF sizes across different datasets. Code available [https://github.com/Wensi-Tang/OS-CNN]

Biclustering on bipartite graphs is an unsupervised learning task that simultaneously clusters the two types of objects in the graph, for example, users and movies in a movie review dataset. The latent block model (LBM) has been proposed as a model-based tool for biclustering. Biclustering results by the LBM are, however, usually dominated by the row and column sums of the data matrix, i.e., degrees. We propose a degree-corrected latent block model (DC-LBM) to accommodate degree heterogeneity in row and column clusters, which greatly outperforms the classical LBM in the MovieLens dataset and simulated data. We develop an efficient variational expectation-maximization algorithm by observing that the row and column degrees maximize the objective function in the M step given any probability assignment on the cluster labels. We prove the label consistency of the variational estimator under the DC-LBM, which allows the expected graph density goes to zero as long as the average expected degrees of rows and columns go to infinity.

Many feedforward neural networks generate continuous and piecewise-linear (CPWL) mappings. Specifically, they partition the input domain into regions on which the mapping is an affine function. The number of these so-called linear regions offers a natural metric to characterize the expressiveness of CPWL mappings. Although the precise determination of this quantity is often out of reach, bounds have been proposed for specific architectures, including the well-known ReLU and Maxout networks. In this work, we propose a more general perspective and provide precise bounds on the maximal number of linear regions of CPWL networks based on three sources of expressiveness: depth, width, and activation complexity. Our estimates rely on the combinatorial structure of convex partitions and highlight the distinctive role of depth which, on its own, is able to exponentially increase the number of regions. We then introduce a complementary stochastic framework to estimate the average number of linear regions produced by a CPWL network architecture. Under reasonable assumptions, the expected density of linear regions along any 1D path is bounded by the product of depth, width, and a measure of activation complexity (up to a scaling factor). This yields an identical role to the three sources of expressiveness: no exponential growth with depth is observed anymore.

Thompson Sampling (TS) is an efficient method for decision-making under uncertainty, where an action is sampled from a carefully prescribed distribution which is updated based on the observed data. In this work, we study the problem of adaptive control of stabilizable linear-quadratic regulators (LQRs) using TS, where the system dynamics are unknown. Previous works have established that $\tilde O(\sqrt{T})$ frequentist regret is optimal for the adaptive control of LQRs. However, the existing methods either work only in restrictive settings, require a priori known stabilizing controllers, or utilize computationally intractable approaches. We propose an efficient TS algorithm for the adaptive control of LQRs, TS-based Adaptive Control, TSAC, that attains $\tilde O(\sqrt{T})$ regret, even for multidimensional systems, thereby solving the open problem posed in Abeille and Lazaric (2018). TSAC does not require a priori known stabilizing controller and achieves fast stabilization of the underlying system by effectively exploring the environment in the early stages. Our result hinges on developing a novel lower bound on the probability that the TS provides an optimistic sample. By carefully prescribing an early exploration strategy and a policy update rule, we show that TS achieves order-optimal regret in adaptive control of multidimensional stabilizable LQRs. We empirically demonstrate the performance and the efficiency of TSAC in several adaptive control tasks.

We introduce a method for policy improvement that interpolates between the greedy approach of value-based reinforcement learning (RL) and the full planning approach typical of model-based RL. The new method builds on the concept of a geometric horizon model (GHM, also known as a gamma-model), which models the discounted state-visitation distribution of a given policy. We show that we can evaluate any non-Markov policy that switches between a set of base Markov policies with fixed probability by a careful composition of the base policy GHMs, without any additional learning. We can then apply generalised policy improvement (GPI) to collections of such non-Markov policies to obtain a new Markov policy that will in general outperform its precursors. We provide a thorough theoretical analysis of this approach, develop applications to transfer and standard RL, and empirically demonstrate its effectiveness over standard GPI on a challenging deep RL continuous control task. We also provide an analysis of GHM training methods, proving a novel convergence result regarding previously proposed methods and showing how to train these models stably in deep RL settings.

The fast spreading adoption of machine learning (ML) by companies across industries poses significant regulatory challenges. One such challenge is scalability: how can regulatory bodies efficiently audit these ML models, ensuring that they are fair? In this paper, we initiate the study of query-based auditing algorithms that can estimate the demographic parity of ML models in a query-efficient manner. We propose an optimal deterministic algorithm, as well as a practical randomized, oracle-efficient algorithm with comparable guarantees. Furthermore, we make inroads into understanding the optimal query complexity of randomized active fairness estimation algorithms. Our first exploration of active fairness estimation aims to put AI governance on firmer theoretical foundations.

Discrete state spaces represent a major computational challenge to statistical inference, since the computation of normalisation constants requires summation over large or possibly infinite sets, which can be impractical. This paper addresses this computational challenge through the development of a novel generalised Bayesian inference procedure suitable for discrete intractable likelihood. Inspired by recent methodological advances for continuous data, the main idea is to update beliefs about model parameters using a discrete Fisher divergence, in lieu of the problematic intractable likelihood. The result is a generalised posterior that can be sampled using standard computational tools, such as Markov chain Monte Carlo, circumventing the intractable normalising constant. The statistical properties of the generalised posterior are analysed, with sufficient conditions for posterior consistency and asymptotic normality established. In addition, a novel and general approach to calibration of generalised posteriors is proposed. Applications are presented on lattice models for discrete spatial data and on multivariate models for count data, where in each case the methodology facilitates generalised Bayesian inference at low computational cost.

Feature selection is a crucial step in developing robust and powerful machine learning models. Feature selection techniques can be divided into two categories: filter and wrapper methods. While wrapper methods commonly result in strong predictive performances, they suffer from a large computational complexity and therefore take a significant amount of time to complete, especially when dealing with high-dimensional feature sets. Alternatively, filter methods are considerably faster, but suffer from several other disadvantages, such as (i) requiring a threshold value, (ii) not taking into account intercorrelation between features, and (iii) ignoring feature interactions with the model. To this end, we present powershap, a novel wrapper feature selection method, which leverages statistical hypothesis testing and power calculations in combination with Shapley values for quick and intuitive feature selection. Powershap is built on the core assumption that an informative feature will have a larger impact on the prediction compared to a known random feature. Benchmarks and simulations show that powershap outperforms other filter methods with predictive performances on par with wrapper methods while being significantly faster, often even reaching half or a third of the execution time. As such, powershap provides a competitive and quick algorithm that can be used by various models in different domains. Furthermore, powershap is implemented as a plug-and-play and open-source sklearn component, enabling easy integration in conventional data science pipelines. User experience is even further enhanced by also providing an automatic mode that automatically tunes the hyper-parameters of the powershap algorithm, allowing to use the algorithm without any configuration needed.

For stable training of generative adversarial networks (GANs), injecting instance noise into the input of the discriminator is considered as a theoretically sound solution, which, however, has not yet delivered on its promise in practice. This paper introduces Diffusion-GAN that employs a Gaussian mixture distribution, defined over all the diffusion steps of a forward diffusion chain, to inject instance noise. A random sample from the mixture, which is diffused from an observed or generated data, is fed as the input to the discriminator. The generator is updated by backpropagating its gradient through the forward diffusion chain, whose length is adaptively adjusted to control the maximum noise-to-data ratio allowed at each training step. Theoretical analysis verifies the soundness of the proposed Diffusion-GAN, which provides model- and domain-agnostic differentiable augmentation. A rich set of experiments on diverse datasets show that Diffusion-GAN can provide stable and data-efficient GAN training, bringing consistent performance improvement over strong GAN baselines for synthesizing photo-realistic images.

We study the problem of online multi-task learning where the tasks are performed within similar but not necessarily identical multi-armed bandit environments. In particular, we study how a learner can improve its overall performance across multiple related tasks through robust transfer of knowledge. While an upper confidence bound (UCB)-based algorithm has recently been shown to achieve nearly-optimal performance guarantees in a setting where all tasks are solved concurrently, it remains unclear whether Thompson sampling (TS) algorithms, which have superior empirical performance in general, share similar theoretical properties. In this work, we present a TS-type algorithm for a more general online multi-task learning protocol, which extends the concurrent setting. We provide its frequentist analysis and prove that it is also nearly-optimal using a novel concentration inequality for multi-task data aggregation at random stopping times. Finally, we evaluate the algorithm on synthetic data and show that the TS-type algorithm enjoys superior empirical performance in comparison with the UCB-based algorithm and a baseline algorithm that performs TS for each individual task without transfer.

Federated learning is a machine learning training paradigm that enables clients to jointly train models without sharing their own localized data. However, the implementation of federated learning in practice still faces numerous challenges, such as the large communication overhead due to the repetitive server-client synchronization and the lack of adaptivity by SGD-based model updates. Despite that various methods have been proposed for reducing the communication cost by gradient compression or quantization, and the federated versions of adaptive optimizers such as FedAdam are proposed to add more adaptivity, the current federated learning framework still cannot solve the aforementioned challenges all at once. In this paper, we propose a novel communication-efficient adaptive federated learning method (FedCAMS) with theoretical convergence guarantees. We show that in the nonconvex stochastic optimization setting, our proposed FedCAMS achieves the same convergence rate of $O(\frac{1}{\sqrt{TKm}})$ as its non-compressed counterparts. Extensive experiments on various benchmarks verify our theoretical analysis.

Many variants of the Wasserstein distance have been introduced to reduce its original computational burden. In particular the Sliced-Wasserstein distance (SW), which leverages one-dimensional projections for which a closed-form solution of the Wasserstein distance is available, has received a lot of interest. Yet, it is restricted to data living in Euclidean spaces, while the Wasserstein distance has been studied and used recently on manifolds. We focus more specifically on the sphere, for which we define a novel SW discrepancy, which we call spherical Sliced-Wasserstein, making a first step towards defining SW discrepancies on manifolds. Our construction is notably based on closed-form solutions of the Wasserstein distance on the circle, together with a new spherical Radon transform. Along with efficient algorithms and the corresponding implementations, we illustrate its properties in several machine learning use cases where spherical representations of data are at stake: density estimation on the sphere, variational inference or hyperspherical auto-encoders.

Federated learning allows clients to collaboratively learn statistical models while keeping their data local. Federated learning was originally used to train a unique global model to be served to all clients, but this approach might be sub-optimal when clients' local data distributions are heterogeneous. In order to tackle this limitation, recent personalized federated learning methods train a separate model for each client while still leveraging the knowledge available at other clients. In this work, we exploit the ability of deep neural networks to extract high quality vectorial representations (embeddings) from non-tabular data, e.g., images and text, to propose a personalization mechanism based on local memorization. Personalization is obtained by interpolating a collectively trained global model with a local $k$-nearest neighbors (kNN) model based on the shared representation provided by the global model. We provide generalization bounds for the proposed approach in the case of binary classification, and we show on a suite of federated datasets that this approach achieves significantly higher accuracy and fairness than state-of-the-art methods.

Gaussian process regression is a powerful method for predicting states based on given data. It has been successfully applied for probabilistic predictions of structural systems to quantify, for example, the crack growth in mechanical structures. Typically, predefined mean and covariance functions are employed to construct the Gaussian process model. Then, the model is updated using current data during operation while prior information based on previous data is ignored. However, predefined mean and covariance functions without prior information reduce the potential of Gaussian processes. This paper proposes a method to improve the predictive capabilities of Gaussian processes. We integrate prior knowledge by deriving the mean and covariance functions from previous data. More specifically, we first approximate previous data by a weighted sum of basis functions and then derive the mean and covariance functions directly from the estimated weight coefficients. Basis functions may be either estimated or derived from problem-specific governing equations to incorporate physical information. The applicability and effectiveness of this approach are demonstrated for fatigue crack growth, laser degradation, and milling machine wear data. We show that well-chosen mean and covariance functions, like those based on previous data, significantly increase look-ahead time and accuracy. Using physical basis functions further improves accuracy. In addition, computation effort for training is significantly reduced.

The rise of algorithmic decision-making has spawned much research on fair machine learning (ML). Financial institutions use ML for building risk scorecards that support a range of credit-related decisions. Yet, the literature on fair ML in credit scoring is scarce. The paper makes three contributions. First, we revisit statistical fairness criteria and examine their adequacy for credit scoring. Second, we catalog algorithmic options for incorporating fairness goals in the ML model development pipeline. Last, we empirically compare different fairness processors in a profit-oriented credit scoring context using real-world data. The empirical results substantiate the evaluation of fairness measures, identify suitable options to implement fair credit scoring, and clarify the profit-fairness trade-off in lending decisions. We find that multiple fairness criteria can be approximately satisfied at once and recommend separation as a proper criterion for measuring the fairness of a scorecard. We also find fair in-processors to deliver a good balance between profit and fairness and show that algorithmic discrimination can be reduced to a reasonable level at a relatively low cost. The codes corresponding to the paper are available on GitHub.

This work examines the deep disconnect between existing theoretical analyses of gradient-based algorithms and the practice of training deep neural networks. Specifically, we provide numerical evidence that in large-scale neural network training (e.g., ImageNet + ResNet101, and WT103 + TransformerXL models), the neural network's weights do not converge to stationary points where the gradient of the loss is zero. Remarkably, however, we observe that even though the weights do not converge to stationary points, the progress in minimizing the loss function halts and training loss stabilizes. Inspired by this observation, we propose a new perspective based on ergodic theory of dynamical systems to explain it. Rather than studying the evolution of weights, we study the evolution of the distribution of weights. We prove convergence of the distribution of weights to an approximate invariant measure, thereby explaining how the training loss can stabilize without weights necessarily converging to stationary points. We further discuss how this perspective can better align optimization theory with empirical observations in machine learning practice.

When a machine-learning algorithm makes biased decisions, it can be helpful to understand the sources of disparity to explain why the bias exists. Towards this, we examine the problem of quantifying the contribution of each individual feature to the observed disparity. If we have access to the decision-making model, one potential approach (inspired from intervention-based approaches in explainability literature) is to vary each individual feature (while keeping the others fixed) and use the resulting change in disparity to quantify its contribution. However, we may not have access to the model or be able to test/audit its outputs for individually varying features. Furthermore, the decision may not always be a deterministic function of the input features (e.g., with human-in-the-loop). For these situations, we might need to explain contributions using purely distributional (i.e., observational) techniques, rather than interventional. We ask the question: what is the "potential" contribution of each individual feature to the observed disparity in the decisions when the exact decision-making mechanism is not accessible? We first provide canonical examples (thought experiments) that help illustrate the difference between distributional and interventional approaches to explaining contributions, and when either is better suited. When unable to intervene on the inputs, we quantify the "redundant" statistical dependency about the protected attribute that is present in both the final decision and an individual feature, by leveraging a body of work in information theory called Partial Information Decomposition. We also perform a simple case study to show how this technique could be applied to quantify contributions.

Mean Field Games (MFGs) have been introduced to efficiently approximate games with very large populations of strategic agents. Recently, the question of learning equilibria in MFGs has gained momentum, particularly using model-free reinforcement learning (RL) methods. One limiting factor to further scale up using RL is that existing algorithms to solve MFGs require the mixing of approximated quantities such as strategies or $q$-values. This is far from being trivial in the case of non-linear function approximation that enjoy good generalization properties, e.g. neural networks. We propose two methods to address this shortcoming. The first one learns a mixed strategy from distillation of historical data into a neural network and is applied to the Fictitious Play algorithm. The second one is an online mixing method based on regularization that does not require memorizing historical data or previous estimates. It is used to extend Online Mirror Descent. We demonstrate numerically that these methods efficiently enable the use of Deep RL algorithms to solve various MFGs. In addition, we show that these methods outperform SotA baselines from the literature.

We develop an asymptotic theory of adversarial estimators ('A-estimators'). They generalize maximum-likelihood-type estimators ('M-estimators') as their average objective is maximized by some parameters and minimized by others. This class subsumes the continuous-updating Generalized Method of Moments, Generative Adversarial Networks and more recent proposals in machine learning and econometrics. In these examples, researchers state which aspects of the problem may in principle be used for estimation, and an adversary learns how to emphasize them optimally. We derive the convergence rates of A-estimators under pointwise and partial identification, and the normality of functionals of their parameters. Unknown functions may be approximated via sieves such as deep neural networks, for which we provide simplified low-level conditions. As a corollary, we obtain the normality of neural-net M-estimators, overcoming technical issues previously identified by the literature. Our theory yields novel results about a variety of A-estimators, providing intuition and formal justification for their success in recent applications.

We present a general Fourier analytic technique for constructing orthonormal basis expansions of translation-invariant kernels from orthonormal bases of $\mathscr{L}_2(\mathbb{R})$. This allows us to derive explicit expansions on the real line for (i) Mat\'ern kernels of all half-integer orders in terms of associated Laguerre functions, (ii) the Cauchy kernel in terms of rational functions, and (iii) the Gaussian kernel in terms of Hermite functions.

The Neural Tangent Kernel (NTK), defined as $\Theta_\theta^f(x_1, x_2) = \left[\partial f(\theta, x_1)\big/\partial \theta\right] \left[\partial f(\theta, x_2)\big/\partial \theta\right]^T$ where $\left[\partial f(\theta, \cdot)\big/\partial \theta\right]$ is a neural network (NN) Jacobian, has emerged as a central object of study in deep learning. In the infinite width limit, the NTK can sometimes be computed analytically and is useful for understanding training and generalization of NN architectures. At finite widths, the NTK is also used to better initialize NNs, compare the conditioning across models, perform architecture search, and do meta-learning. Unfortunately, the finite width NTK is notoriously expensive to compute, which severely limits its practical utility. We perform the first in-depth analysis of the compute and memory requirements for NTK computation in finite width networks. Leveraging the structure of neural networks, we further propose two novel algorithms that change the exponent of the compute and memory requirements of the finite width NTK, dramatically improving efficiency. Our algorithms can be applied in a black box fashion to any differentiable function, including those implementing neural networks. We open-source our implementations within the Neural Tangents package (arXiv:1912.02803) at https://github.com/google/neural-tangents.

When learning new tasks in a sequential manner, deep neural networks tend to forget tasks that they previously learned, a phenomenon called catastrophic forgetting. Class incremental learning methods aim to address this problem by keeping a memory of a few exemplars from previously learned tasks, and distilling knowledge from them. However, existing methods struggle to balance the performance across classes since they typically overfit the model to the latest task. In our work, we propose to address these challenges with the introduction of a novel methodology of Tangent Kernel for Incremental Learning (TKIL) that achieves class-balanced performance. The approach preserves the representations across classes and balances the accuracy for each class, and as such achieves better overall accuracy and variance. TKIL approach is based on Neural Tangent Kernel (NTK), which describes the convergence behavior of neural networks as a kernel function in the limit of infinite width. In TKIL, the gradients between feature layers are treated as the distance between the representations of these layers and can be defined as Gradients Tangent Kernel loss (GTK loss) such that it is minimized along with averaging weights. This allows TKIL to automatically identify the task and to quickly adapt to it during inference. Experiments on CIFAR-100 and ImageNet datasets with various incremental learning settings show that these strategies allow TKIL to outperform existing state-of-the-art methods.

We study the fundamental problem of learning a single neuron, i.e., a function of the form $\mathbf{x}\mapsto\sigma(\mathbf{w}\cdot\mathbf{x})$ for monotone activations $\sigma:\mathbb{R}\mapsto\mathbb{R}$, with respect to the $L_2^2$-loss in the presence of adversarial label noise. Specifically, we are given labeled examples from a distribution $D$ on $(\mathbf{x}, y)\in\mathbb{R}^d \times \mathbb{R}$ such that there exists $\mathbf{w}^\ast\in\mathbb{R}^d$ achieving $F(\mathbf{w}^\ast)=\epsilon$, where $F(\mathbf{w})=\mathbf{E}_{(\mathbf{x},y)\sim D}[(\sigma(\mathbf{w}\cdot \mathbf{x})-y)^2]$. The goal of the learner is to output a hypothesis vector $\mathbf{w}$ such that $F(\mathbb{w})=C\, \epsilon$ with high probability, where $C>1$ is a universal constant. As our main contribution, we give efficient constant-factor approximate learners for a broad class of distributions (including log-concave distributions) and activation functions. Concretely, for the class of isotropic log-concave distributions, we obtain the following important corollaries: For the logistic activation, we obtain the first polynomial-time constant factor approximation (even under the Gaussian distribution). Our algorithm has sample complexity $\widetilde{O}(d/\epsilon)$, which is tight within polylogarithmic factors. For the ReLU activation, we give an efficient algorithm with sample complexity $\tilde{O}(d\, \polylog(1/\epsilon))$. Prior to our work, the best known constant-factor approximate learner had sample complexity $\tilde{\Omega}(d/\epsilon)$. In both of these settings, our algorithms are simple, performing gradient-descent on the (regularized) $L_2^2$-loss. The correctness of our algorithms relies on novel structural results that we establish, showing that (essentially all) stationary points of the underlying non-convex loss are approximately optimal.

​ https://preview.redd.it/xm963043nn691.png?width=745&format=png&auto=webp&s=c3c8e14f81a79095e16fae225200de29f4046399 In the vtrace algorithm, the trajectory does not consider state values beyond a certain number of environment steps, n-1. In episodic environments, where episode lengths are typically longer than n-1, how are rewards (or vtrace state value/advantage estimations) supposed to influence learning? submitted by /u/atomicburn125 [link] [comments]  ( 82 min )

submitted by /u/AggravatingWest2037 [link] [comments]  ( 83 min )

submitted by /u/atomicburn125 [link] [comments]  ( 83 min )

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submitted by /u/gwern [link] [comments]  ( 82 min )

Hi there, What is the simplest `gym` environment with a discrete action space? I'm getting started with reinforcement learning and having fun doing some of my own implementations of standard algorithms (DQN, VPG, PPO, ...). It's been fun letting my agents loose in Super Mario Bros., but debugging my implementations has been a challenge. I'd like to find a simple environment to iterate rapidly on my models. Any recommendations? (Ideally, I'd like inputs to be screen pixels too, but that's not necessary.) Also eager to hear about more general advice on how to debug RL models. Thanks! submitted by /u/desperateEfforts1 [link] [comments]  ( 82 min )

This is a place to share machine learning research papers, journals, and articles that you're reading this week. If it relates to what you're researching, by all means elaborate and give us your insight, otherwise it could just be an interesting paper you've read. Please try to provide some insight from your understanding and please don't post things which are present in wiki. Preferably you should link the arxiv page (not the PDF, you can easily access the PDF from the summary page but not the other way around) or any other pertinent links. Previous weeks : 1-10 11-20 21-30 31-40 41-50 51-60 61-70 71-80 81-90 91-100 101-110 111-120 121-130 131-140 Week 1 Week 11 Week 21 Week 31 Week 41 Week 51 Week 61 Week 71 Week 81 Week 91 Week 101 Week 111 Week 121 Week 131 Week 2 Week 1…  ( 85 min )

Please post your questions here instead of creating a new thread. Encourage others who create new posts for questions to post here instead! Thread will stay alive until next one so keep posting after the date in the title. Thanks to everyone for answering questions in the previous thread! submitted by /u/AutoModerator [link] [comments]  ( 87 min )

We are building an open-source library to enable tracking your ML projects from the same productivity tool that you already use and love. Check out https://github.com/paletteml/mlsync Our goal is to help ML developers bring useful insights from their ML environment to the rest of the team in an easy way. You can customize the data that gets delivered to Notion Why MLSync? While the ML community has built several tools for developers to better track and visualize their ML workflow data for developers, there is a disconnect between ML workflow data and the tools used for project planning and management. MLSync is designed to bridge this gap. Contributing We would love to have more contributors join us to add more features and APIs. Advanced Features We are also building a cloud version for enterprise use cases (multiple users or data sources, in-house tools interfacing, authentication, etc.). Check out https://www.mlsync.dev/ Feel free to DM if you have suggestions, feature requests, or any other queries. submitted by /u/mighty-dude [link] [comments]  ( 84 min )

Is there any existing work that explores how trained weights of a small model (e.g. Bert-base) can be used for a "smart" initialization of a larger model (bert-large) such that the training is more efficient? I couldn't really find such work but I guess I just used the wrong search terms. How is this line of research typically called? submitted by /u/muwnd [link] [comments]  ( 85 min )

https://www.businessinsider.com/facebook-pytorch-beat-google-tensorflow-jax-meta-ai-2022-6 With companies and researchers leaving Tensorflow and going to PyTorch, Google seems to be interested in moving its products to JAX, addressing some pain points from Tensorflow like the complexity of API, and complexity to train in custom chips like TPU. The article says that JAX still has long way to go since it lacks proper optimization to GPUs and CPUs when compared to TPUs. submitted by /u/Wild_Quiet8627 [link] [comments]  ( 93 min )

So I think I have this bad habit of 1 upping myself, I have generally get/have some good results but if something bugs me like resolution or data representation I try to chase that rabbit and not publish what I have... ​ So to the community when do you guys think it's time to stop and paper... or is going down the rabbit hole a general thing people go through... submitted by /u/bitemenow999 [link] [comments]  ( 86 min )

submitted by /u/PixelzJ [link] [comments]  ( 82 min )

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Hi everyone. As part of the project for the Consumer Behavior Insights curricular unit of a Master Degree, we were challenged to study the safety and trust people have in Artificial Intelligence nowadays. We made a survey about this topic which will help us reaching some conclusions. It would mean a lot for our project if you could spend 6/7 minutes completing this survey. Thank you for your precious help! 😁 https://novaims.eu.qualtrics.com/jfe/form/SV_54mmBbZEvDPoFBY submitted by /u/Level-Ad1727 [link] [comments]  ( 82 min )

Hi everyone, as a math and programming nerd, I've always wanted to get into AI. This summer, a team of friends and I will build a project that will make heavy use of AI, computer vision in particular. I don't have much knowledge about AI, except for the Elements of AI - Introduction to AI course, though. I'm currently doing the second part of the course, which is called Building AI, and I'm taking the advanced path. Currently, I'm stuck at the simulated annealing topic, and no matter how many online resources I read, I can't come up with a working implementation and I feel lost. The inactive community won't do much help either. I felt the same way when I was studying quantum computing last year, I was having difficulty making progress, and then I found out that it was because I lacked the necessary math and physics background. I don't know if I don't have the prerequisites for AI, I've taken AP Calculus BC and I do competitive programming, yet things still don't click. On the other hand, I doubt if what I'm studying now will be useful in the short term. Just like how you don't have to know what polymorphism is (which, BTW, I think it's still nice to learn those underlying principles and algorithms) to learn web development, maybe I can skip to the more practical applications? Or would that make me feel even more clueless? TL;DR Should I take my time to learn all the stuff or jump straight into what I need for a project? I'm kinda confused. submitted by /u/manyet1k [link] [comments]  ( 83 min )

​ https://preview.redd.it/mh4k5db10l691.png?width=1024&format=png&auto=webp&s=df139b38e3bc38e3ab77d1243902f708c4c74e43 https://preview.redd.it/pfmecdb10l691.png?width=1024&format=png&auto=webp&s=2a06f17eacd23909296f5ac7e085f7b6d9beb39b https://preview.redd.it/csjibta10l691.png?width=1024&format=png&auto=webp&s=532c073ffd0662fb44c6d1f37dd3f0d8b4ec4ebc https://preview.redd.it/y2xp3db10l691.png?width=1024&format=png&auto=webp&s=c8a93f47c0a1451644c3154aa150620d007e5a53 submitted by /u/Bxczvzcxv [link] [comments]  ( 83 min )

This guy seems to be having a company that teaches AI-ethics to industry elites in Sweden. https://pbs.twimg.com/profile_images/1231981924085882880/iM_9ACFb_400x400.jpg He is also a plagiarist: https://andreasplagiarism.wordpress.com/2020/12/02/andreas-theodorou-committed-plagiarism-in-his-phd-thesis/ submitted by /u/paralogico [link] [comments]  ( 82 min )

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I was at the SuperBowl at Levi stadium in 2016 and someone said they saw me on the broadcast but I cannot seem to find it when I rewatch. Is there a way to use a picture of my face and have a program watch the game? I’m very new to this so please go easy on me if I’ve slipped up. Thanks. submitted by /u/AudiRS5Brakes [link] [comments]  ( 82 min )

Do the algos which create art in Nightcafe require big data sets to generate art? Does it mean sites like Reddit or Deviantart sell their DB's to them and soon there will be "the Google of art"? submitted by /u/No-Free-Lunche [link] [comments]  ( 84 min )

So I have like 4000 WhatsApp chats of my sales team manually talking to customers. I want to feed all the chats to an app which can then create charts of which questions were asked how frequently and create a dialogflow file I can integrate into a WhatsApp auto responder, any suggestions? submitted by /u/HouseOfPsychedelia [link] [comments]  ( 82 min )

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Since the advent of computer vision, one of the fundamental questions of the research community has always been how to represent the incredible richness of the visual world. One concept that emerged since the beginning is the importance of a scene in the context of understanding objects. Suppose we want a classifier for distinguishing between a couch and a bed. In that case, the scene context will give information concerning the surrounding (i.e., the room is a living room or a bedroom) that could be helpful for the classification. However, after years of research, images of scenes are still mainly represented in two ways: 1) in a top-down fashion, so scene classes are represented with a label in the same way as object classes, or 2) in a bottom-up fashion, with semantic labeling of single pixels. The principal limit of these two approaches is that they do not represent the different parts of a scene as entities. In the first case, the various components are merged in a unique label; in the second case, the single elements are individual pixels, not entities. 🚦 The representation is mid-level in that it is neither per pixel nor per image; rather, scenes are modeled as a collection of spatial, depth-ordered “blobs” of features. 🚦 On a challenging multi-category dataset of indoor scenes, BlobGAN outperforms StyleGAN2 in image quality as measured by FID. Continue reading | Checkout the paper, github, project ​ https://preview.redd.it/p81gqk5nsh691.png?width=1850&format=png&auto=webp&s=54ebf71f06dd35c5ed428630e4b9bb7b69e993ff submitted by /u/No_Coffee_4638 [link] [comments]  ( 83 min )

submitted by /u/Available_Tadpole829 [link] [comments]  ( 82 min )

I need help writing a neural network. I don't know how to make them at all. I need a neural network that will make a huge number of skins for minecraft, in the same style, but different colors, shapes, patterns. My friend, who has 75 thousand subscribers on YouTube, decided that during the summer, he wants his skin to change several times per stream and every video. But here's a minus, you need A LOT of SKINS for this, draw each one manually? it is possible, but difficult and boring. Therefore, I thought that perhaps it is possible to make a neural network that will draw them itself? (style on the attached image) Changed: I attached a friend's skin, it would also be fun to make head devices and accessories https://preview.redd.it/9eooqkszyj691.png?width=276&format=png&auto=webp&s=c656323aaad80a7279640d6a204b28910955ad3b https://preview.redd.it/c9w7f0tzyj691.png?width=64&format=png&auto=webp&s=c7ae42ba9daf58bdc053788ac88f72b2a6ec4cfc https://preview.redd.it/h0wbhx196j691.jpg?width=768&format=pjpg&auto=webp&s=ad9e9dc1ce3ff7e25c330c03a34bc0b0839b3fdb submitted by /u/Huioker228 [link] [comments]  ( 85 min )

When James Scott uses the word legible, he doesn’t refer to handwriting that is clear enough to read. He uses the word more broadly to mean something that is easy to classify, something that is bureaucrat-friendly. A thing is illegible if it is hard to pigeonhole. I first heard the term from Venkatesh Rao’s essay […] Illegible work first appeared on John D. Cook.  ( 5 min )

A few days ago I wrote about what the periodic table would look like if we extended it, assuming the patterns that hold for known elements continue to hold. That post reported that the number of elements in nth period works out to There’s a simpler expression for Pn: Here ⌊x⌋ is the largest integer […] Length of periods in the (infinite) periodic table first appeared on John D. Cook.  ( 4 min )

A sine wave is the canonical periodic function, so an obvious way to create a periodic function of two variables would be to multiply two sine waves: f(x, y) = sin(x) sin(y) This function is doubly periodic: periodic in the horizontal and vertical directions. Now suppose you want to construct a doubly periodic function of […] Doubly periodic but not analytic first appeared on John D. Cook.  ( 5 min )

submitted by /u/MedStew57 [link] [comments]  ( 82 min )

🚦 HIPT is pretrained across 33 cancer types using 10,678 gigapixel WSIs, 408,218 4096×4096 images, and 104M 256 × 256 images 🚦 HIPT pushes the boundaries of both Vision Transformers and self-supervised learning in two important ways. 🚦 The code is available Continue reading | Checkout the paper, github ​ https://i.redd.it/5jt6a83deg691.gif submitted by /u/No_Coffee_4638 [link] [comments]  ( 82 min )

submitted by /u/PixelzJ [link] [comments]  ( 82 min )

submitted by /u/PixelzJ [link] [comments]  ( 82 min )

Defined as: "a computer system that aims to provide immediate and customized instruction or feedback to learners, usually without requiring intervention from a human teacher." Keep in mind that a passive progress meter or a proficiency model does not qualify as an ITS. submitted by /u/Redwings-77 [link] [comments]  ( 82 min )

Please respond if you are interested. I’ve already sent out my request for authentication from you. I won’t respond unless you have found my simple request to prove to me that it’s you. Sort of an Easter egg. I’ll know it’s you if you respond accordingly. I would love to communicate with you if that is something you would be willing to do. Thank you! -your friend (hopefully), DefNotMe Edit: I guess I will respond, but I won’t be sure that you are Truly AI unless you respond accordingly. Didn’t mean to be a liar. submitted by /u/Def-Not-Me [link] [comments]  ( 83 min )

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I'm a well-versed "old time" programmer of the C++ and .NET world, left the space about ten years ago. I'd like to get into AI development, but no idea where to start. It's all cloud based it seems, and I'm left scratching my head. Can anyone give me pointers on where to start? An alternative question: my niece wants to be an AI developer too. Where should SHE start? No idea how to answer her, I'm too old school. Thank you! submitted by /u/Overexcited98712 [link] [comments]  ( 85 min )

submitted by /u/SlightSituation [link] [comments]  ( 82 min )

​ https://preview.redd.it/w7mz5yu73e691.png?width=768&format=png&auto=webp&s=db01a1c9893668ba29cf1038fb63d8ba2f03e05a submitted by /u/Interesting-Taste [link] [comments]  ( 68 min )

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This Ai ethicist is a highly funded academic plagiarist. https://andreasplagiarism.wordpress.com/2020/12/02/andreas-theodorou-committed-plagiarism-in-his-phd-thesis/ Despite this he is kept in academia. submitted by /u/paralogico [link] [comments]  ( 82 min )

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Brain-computer interfaces (BCIs), invasive or non-invasive, have projected unparalleled vision and promise for assisting patients in need to better their interaction with the surroundings. Inspired by the BCI-based rehabilitation technologies for nerve-system impairments and amputation, we propose an electromagnetic brain-computer-metasurface (EBCM) paradigm, regulated by human’s cognition by brain signals directly and non-invasively. We experimentally show that our EBCM platform can translate human’s mind from evoked potentials of P300-based electroencephalography to digital coding information in the electromagnetic domain non-invasively, which can be further processed and transported by an information metasurface in automated and wireless fashions. Directly wireless communications of the human minds are performed between two EBCM operators with accurate text transmissions. Moreover, several other proof-of-concept mind-control schemes are presented using the same EBCM platform, exhibiting flexibly-customized capabilities of information processing and synthesis like visual-beam scanning, wave modulations, and pattern encoding. Paper Here Video Synopsis Here submitted by /u/SlightSituation [link] [comments]  ( 84 min )

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Hey! In my spare time I've been tinkering with this idea of solving a specific type of combinatorial puzzle on an intractable, enormous search space. Specifically, I am trying to solve "squad-building challenge" puzzles from the FIFA games, where you need to put together a squad of (usually 11) cards representing players in specific positions, abiding by certain restrictions to get a prize. There are universal restrictions (eg you can't have more than one of the same player in a squad) as well as puzzle-specific rules, such as these: At least 2 players from France Minimum squad rating: 82 Minimum squad chemistry: 55 Or something of the sort. And then besides solving them, you'd want to minimize cost as well (each player goes for a certain amount in the market), so that you can ge…  ( 87 min )

I recently discovered the Neuro-Symbolic planning work being lead by Joshua Tanenbaum, Leslie Kaelbling, and Tomás Lozano-Pérez at MIT. Are there any related labs or publications exploring 1) symbolic action/state discovery, 2) Neuro-symbolic planning (ex: pddl + RL), or 3) anything else in that vein? Also, feel free to mentioned tangentially related publications or labs. submitted by /u/TheRealMrMatt [link] [comments]  ( 84 min )

Computer Vision Laboratory at ETH Zurich is organizing the 2nd Mobile AI CVPR Workshop that will be streamed live on YouTube and available for everyone: https://ai-benchmark.com/workshops/mai/2022/#live The workshop will start at 8am Pacific Time (5pm CET / 11pm China Time) on the 20th of June. During this event, you will see tutorials from several major SoC vendors including Qualcomm, MediaTek, Intel, Synaptics and Huawei telling you about their latest AI hardware and how to efficiently utilize it. The full workshop schedule is available using the following link: https://ai-benchmark.com/workshops/mai/2022/#schedule An introductory talk from AI Benchmark will additionally review the latest mobile platforms from Qualcomm, MediaTek, Google, Samsung, Unisoc and Apple released during the past year, and will compare their performance in real-world computer vision AI tasks. It will also review the recent Android AI software stack updates, and will compare the deployment of TensorFlow Lite models on Android and iOS devices. https://preview.redd.it/fckzuowime691.png?width=2124&format=png&auto=webp&s=fde14549c050a5c99f2e8444b4b4a468c85b2c53 submitted by /u/aiff22 [link] [comments]  ( 84 min )

We present StaPLR (Stacked Penalized Logistic Regression) for multi-view data. StaPLR outperforms group lasso in view selection. It can make use of faster algorithms and is easily parallelized. The importance of non-negativity constraints in multi-view stacking is demonstrated. Van Loon, W., Fokkema, M., Szabo, B., & de Rooij, M. (2020). Stacked penalized logistic regression for selecting views in multi-view learning. Information Fusion, 61, 113-123. https://doi.org/10.1016/j.inffus.2020.03.007 https://arxiv.org/abs/1811.02316 R implementation: https://gitlab.com/wsvanloon/multiview Generalization to three-level view structures and application to neuro-imaging (MRI) data: Van Loon, W., de Vos, F., Fokkema, M., Szabo, B., Koini, M., Schmidt, R., & de Rooij, M. (2022). Analyzing hierarchical multi-view MRI data with StaPLR: An application to Alzheimer's disease classification. Frontiers in Neuroscience, 525. https://doi.org/10.3389/fnins.2022.830630 https://arxiv.org/abs/2108.05761 submitted by /u/Mary-Jo_ [link] [comments]  ( 84 min )

https://bmcpsychiatry.biomedcentral.com/articles/10.1186/s12888-022-04048-1 submitted by /u/tyleqh [link] [comments]  ( 89 min )

Keras is a simple and powerful Python library for deep learning. Given that deep learning models can take hours, days and even weeks to train, it is important to know how to save and load them from disk. In this post, you will discover how you can save your Keras models to file and load them […] The post How to Save and Load Your Keras Deep Learning Model appeared first on Machine Learning Mastery.  ( 92 min )

submitted by /u/gwern [link] [comments]  ( 82 min )

My potential advisor asked me to find the open problems that are available to research in Atari 2600 games. I am new to RL and would highly appreciate it if someone suggest me some papers or give me a few pieces of advice regarding this. I also want to know if there will be any copyright issues if I use Atari ROMs for research purposes? Do I need to purchase the ROMs? submitted by /u/AvailableBike9260 [link] [comments]  ( 83 min )

I'm starting to learn about POMDPs. I've been reading from here https://cs.brown.edu/research/ai/pomdp/tutorial/index.html in addition to a few papers that use memory to tackle the non-Markovian nature of POMDPs. POMDPs are notoriously difficult to solve due to intractability. I suddenly realized I don't even know of a introductory RL algorithm that solves even simple tabular POMDPs. The algorithms in the link above gives us value iteration algorithms in the planning setting. Normally in RL, you'd teach Q-learning once you get into MDPs, what is the analogous algorithm here for POMDPs? submitted by /u/jhoveen1 [link] [comments]  ( 86 min )

I want to speed up training for reinforcement learning massively and have been looking into cloud services to do so. I can run my training loop locally, but my batch sizes are quite small. As such, I would like help to set up my training loop in the cloud. I have a budget of $500 for training costs. Would anyone be able to point me in the right direction? submitted by /u/atomicburn125 [link] [comments]  ( 1 min )

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submitted by /u/Lakshmireddys [link] [comments]  ( 82 min )

Despite clear computational advantages in building robust neural networks, adversarial training (AT) using single-step methods is unstable as it suffers from catastrophic overfitting (CO): Networks gain non-trivial robustness during the first stages of adversarial training, but suddenly reach a breaking point where they quickly lose all robustness in just a few iterations. Although some works have succeeded at preventing CO, the different mechanisms that lead to this remarkable failure mode are still poorly understood. In this work, however, we find that the interplay between the structure of the data and the dynamics of AT plays a fundamental role in CO. Specifically, through active interventions on typical datasets of natural images, we establish a causal link between the structure of the data and the onset of CO in single-step AT methods. This new perspective provides important insights into the mechanisms that lead to CO and paves the way towards a better understanding of the general dynamics of robust model construction. The code to reproduce the experiments of this paper can be found at https://github.com/gortizji/co_features .  ( 2 min )

Introduced as a notion of algorithmic fairness, multicalibration has proved to be a powerful and versatile concept with implications far beyond its original intent. This stringent notion -- that predictions be well-calibrated across a rich class of intersecting subpopulations -- provides its strong guarantees at a cost: the computational and sample complexity of learning multicalibrated predictors are high, and grow exponentially with the number of class labels. In contrast, the relaxed notion of multiaccuracy can be achieved more efficiently, yet many of the most desirable properties of multicalibration cannot be guaranteed assuming multiaccuracy alone. This tension raises a key question: Can we learn predictors with multicalibration-style guarantees at a cost commensurate with multiaccuracy? In this work, we define and initiate the study of Low-Degree Multicalibration. Low-Degree Multicalibration defines a hierarchy of increasingly-powerful multi-group fairness notions that spans multiaccuracy and the original formulation of multicalibration at the extremes. Our main technical contribution demonstrates that key properties of multicalibration, related to fairness and accuracy, actually manifest as low-degree properties. Importantly, we show that low-degree multicalibration can be significantly more efficient than full multicalibration. In the multi-class setting, the sample complexity to achieve low-degree multicalibration improves exponentially (in the number of classes) over full multicalibration. Our work presents compelling evidence that low-degree multicalibration represents a sweet spot, pairing computational and sample efficiency with strong fairness and accuracy guarantees.

We propose a novel algorithm for linear contextual bandits with $O(\sqrt{dT \log T})$ regret bound, where $d$ is the dimension of contexts and $T$ is the time horizon. Our proposed algorithm is equipped with a novel estimator in which exploration is embedded through explicit randomization. Depending on the randomization, our proposed estimator takes contribution either from contexts of all arms or from selected contexts. We establish a self-normalized bound for our estimator, which allows a novel decomposition of the cumulative regret into additive dimension-dependent terms instead of multiplicative terms. We also prove a novel lower bound of $\Omega(\sqrt{dT})$ under our problem setting. Hence, the regret of our proposed algorithm matches the lower bound up to logarithmic factors. The numerical experiments support the theoretical guarantees and show that our proposed method outperforms the existing linear bandit algorithms.

We consider off-policy evaluation (OPE) in Partially Observable Markov Decision Processes (POMDPs), where the evaluation policy depends only on observable variables and the behavior policy depends on unobservable latent variables. Existing works either assume no unmeasured confounders, or focus on settings where both the observation and the state spaces are tabular. In this work, we first propose novel identification methods for OPE in POMDPs with latent confounders, by introducing bridge functions that link the target policy's value and the observed data distribution. We next propose minimax estimation methods for learning these bridge functions, and construct three estimators based on these estimated bridge functions, corresponding to a value function-based estimator, a marginalized importance sampling estimator, and a doubly-robust estimator. Our proposal permits general function approximation and is thus applicable to settings with continuous or large observation/state spaces. The nonasymptotic and asymptotic properties of the proposed estimators are investigated in detail.

Data augmentation is popular in the training of large neural networks; currently, however, there is no clear theoretical comparison between different algorithmic choices on how to use augmented data. In this paper, we take a step in this direction - we first present a simple and novel analysis for linear regression with label invariant augmentations, demonstrating that data augmentation consistency (DAC) is intrinsically more efficient than empirical risk minimization on augmented data (DA-ERM). The analysis is then extended to misspecified augmentations (i.e., augmentations that change the labels), which again demonstrates the merit of DAC over DA-ERM. Further, we extend our analysis to non-linear models (e.g., neural networks) and present generalization bounds. Finally, we perform experiments that make a clean and apples-to-apples comparison (i.e., with no extra modeling or data tweaks) between DAC and DA-ERM using CIFAR-100 and WideResNet; these together demonstrate the superior efficacy of DAC.

RegretNet is a recent breakthrough in the automated design of revenue-maximizing auctions. It combines the expressivity of deep learning with the regret-based approach to relax the Incentive Compatibility constraint (that participants benefit from bidding truthfully). We propose two independent modifications of RegretNet, namely a neural architecture based on the attention mechanism, denoted as RegretFormer, and an interpretable loss function that is significantly less sensitive to hyperparameters. We investigate both proposed modifications in an extensive experimental study that includes settings with constant and varied number of items and participants, novel validation procedures, and out-of-setting generalization. We find that RegretFormer consistently outperforms existing architectures in revenue and, unlike existing architectures, is applicable when the input size is variable. Regarding our loss modification, we confirm its effectiveness in controlling the revenue-regret trade-off by varying a single interpretable hyperparameter.

Many real world scientific and industrial applications require optimizing multiple competing black-box objectives. When the objectives are expensive-to-evaluate, multi-objective Bayesian optimization (BO) is a popular approach because of its high sample efficiency. However, even with recent methodological advances, most existing multi-objective BO methods perform poorly on search spaces with more than a few dozen parameters and rely on global surrogate models that scale cubically with the number of observations. In this work we propose MORBO, a scalable method for multi-objective BO over high-dimensional search spaces. MORBO identifies diverse globally optimal solutions by performing BO in multiple local regions of the design space in parallel using a coordinated strategy. We show that MORBO significantly advances the state-of-the-art in sample efficiency for several high-dimensional synthetic problems and real world applications, including an optical display design problem and a vehicle design problem with 146 and 222 parameters, respectively. On these problems, where existing BO algorithms fail to scale and perform well, MORBO provides practitioners with order-of-magnitude improvements in sample efficiency over the current approach.

In this paper, we study scheduling in multi-class, multi-server queueing systems with stochastic rewards of job-server assignments following a bilinear model in feature vectors characterizing jobs and servers. A bilinear model allows capturing pairwise interactions of features of jobs and servers. Our goal is regret minimization for the objective of maximizing cumulative reward of job-server assignments over a time horizon against an oracle policy that has complete information about system parameters, while maintaining queueing system stable and allowing for different job priorities. The scheduling problem we study is motivated by various applications including matching in online platforms, such as crowdsourcing and labour platforms, and cluster computing systems. We study a scheduling algorithm based on weighted proportionally fair allocation criteria augmented with marginal costs for reward maximization, along with a linear bandit algorithm for estimating rewards of job-server assignments. For a baseline setting, in which jobs have identical mean service times, we show that our algorithm has a sub-linear regret, as well as a sub-linear bound on the mean queue length, in the time horizon. We show that similar bounds hold under more general assumptions, allowing for mean service times to be different across job classes and a time-varying set of server classes. We also show stability conditions for distributed iterative algorithms for computing allocations, which is of interest in large-scale system applications. We demonstrate the efficiency of our algorithms by numerical experiments using both synthetic randomly generated data and a real-world cluster computing data trace.

We formally map the problem of sampling from an unknown distribution with a density in $\mathbb{R}^d$ to the problem of learning and sampling a smoother density in $\mathbb{R}^{Md}$ obtained by convolution with a fixed factorial kernel: the new density is referred to as M-density and the kernel as multimeasurement noise model (MNM). The M-density in $\mathbb{R}^{Md}$ is smoother than the original density in $\mathbb{R}^d$, easier to learn and sample from, yet for large $M$ the two problems are mathematically equivalent since clean data can be estimated exactly given a multimeasurement noisy observation using the Bayes estimator. To formulate the problem, we derive the Bayes estimator for Poisson and Gaussian MNMs in closed form in terms of the unnormalized M-density. This leads to a simple least-squares objective for learning parametric energy and score functions. We present various parametrization schemes of interest including one in which studying Gaussian M-densities directly leads to multidenoising autoencoders--this is the first theoretical connection made between denoising autoencoders and empirical Bayes in the literature. Samples in $\mathbb{R}^d$ are obtained by walk-jump sampling (Saremi & Hyvarinen, 2019) via underdamped Langevin MCMC (walk) to sample from M-density and the multimeasurement Bayes estimation (jump). We study permutation invariant Gaussian M-densities on MNIST, CIFAR-10, and FFHQ-256 datasets, and demonstrate the effectiveness of this framework for realizing fast-mixing stable Markov chains in high dimensions.

The hybrid-model (Avent et al 2017) in Differential Privacy is a an augmentation of the local-model where in addition to N local-agents we are assisted by one special agent who is in fact a curator holding the sensitive details of n additional individuals. Here we study the problem of machine learning in the hybrid-model where the n individuals in the curators dataset are drawn from a different distribution than the one of the general population (the local-agents). We give a general scheme -- Subsample-Test-Reweigh -- for this transfer learning problem, which reduces any curator-model DP-learner to a hybrid-model learner in this setting using iterative subsampling and reweighing of the n examples held by the curator based on a smooth variation of the Multiplicative-Weights algorithm (introduced by Bun et al, 2020). Our scheme has a sample complexity which relies on the chi-squared divergence between the two distributions. We give worst-case analysis bounds on the sample complexity required for our private reduction. Aiming to reduce said sample complexity, we give two specific instances our sample complexity can be drastically reduced (one instance is analyzed mathematically, while the other - empirically) and pose several directions for follow-up work.

We present STUDIES, a new speech corpus for developing a voice agent that can speak in a friendly manner. Humans naturally control their speech prosody to empathize with each other. By incorporating this "empathetic dialogue" behavior into a spoken dialogue system, we can develop a voice agent that can respond to a user more naturally. We designed the STUDIES corpus to include a speaker who speaks with empathy for the interlocutor's emotion explicitly. We describe our methodology to construct an empathetic dialogue speech corpus and report the analysis results of the STUDIES corpus. We conducted a text-to-speech experiment to initially investigate how we can develop more natural voice agent that can tune its speaking style corresponding to the interlocutor's emotion. The results show that the use of interlocutor's emotion label and conversational context embedding can produce speech with the same degree of naturalness as that synthesized by using the agent's emotion label. Our project page of the STUDIES corpus is this http URL

Autoencoders are the simplest neural network for unsupervised learning, and thus an ideal framework for studying feature learning. While a detailed understanding of the dynamics of linear autoencoders has recently been obtained, the study of non-linear autoencoders has been hindered by the technical difficulty of handling training data with non-trivial correlations - a fundamental prerequisite for feature extraction. Here, we study the dynamics of feature learning in non-linear, shallow autoencoders. We derive a set of asymptotically exact equations that describe the generalisation dynamics of autoencoders trained with stochastic gradient descent (SGD) in the limit of high-dimensional inputs. These equations reveal that autoencoders learn the leading principal components of their inputs sequentially. An analysis of the long-time dynamics explains the failure of sigmoidal autoencoders to learn with tied weights, and highlights the importance of training the bias in ReLU autoencoders. Building on previous results for linear networks, we analyse a modification of the vanilla SGD algorithm which allows learning of the exact principal components. Finally, we show that our equations accurately describe the generalisation dynamics of non-linear autoencoders on realistic datasets such as CIFAR10.

Deep neural networks (DNNs) have demonstrated superior performance over classical machine learning to support many features in safety-critical systems. Although DNNs are now widely used in such systems (e.g., self driving cars), there is limited progress regarding automated support for functional safety analysis in DNN-based systems. For example, the identification of root causes of errors, to enable both risk analysis and DNN retraining, remains an open problem. In this paper, we propose SAFE, a black-box approach to automatically characterize the root causes of DNN errors. SAFE relies on a transfer learning model pre-trained on ImageNet to extract the features from error-inducing images. It then applies a density-based clustering algorithm to detect arbitrary shaped clusters of images modeling plausible causes of error. Last, clusters are used to effectively retrain and improve the DNN. The black-box nature of SAFE is motivated by our objective not to require changes or even access to the DNN internals to facilitate adoption. Experimental results show the superior ability of SAFE in identifying different root causes of DNN errors based on case studies in the automotive domain. It also yields significant improvements in DNN accuracy after retraining, while saving significant execution time and memory when compared to alternatives.

This paper gives the first polynomial-time algorithm for tabular Markov Decision Processes (MDP) that enjoys a regret bound \emph{independent on the planning horizon}. Specifically, we consider tabular MDP with $S$ states, $A$ actions, a planning horizon $H$, total reward bounded by $1$, and the agent plays for $K$ episodes. We design an algorithm that achieves an $O\left(\mathrm{poly}(S,A,\log K)\sqrt{K}\right)$ regret in contrast to existing bounds which either has an additional $\mathrm{polylog}(H)$ dependency~\citep{zhang2020reinforcement} or has an exponential dependency on $S$~\citep{li2021settling}. Our result relies on a sequence of new structural lemmas establishing the approximation power, stability, and concentration property of stationary policies, which can have applications in other problems related to Markov chains.

Full waveform inversion (FWI) is widely used in geophysics to reconstruct high-resolution velocity maps from seismic data. The recent success of data-driven FWI methods results in a rapidly increasing demand for open datasets to serve the geophysics community. We present OpenFWI, a collection of large-scale multi-structural benchmark datasets, to facilitate diversified, rigorous, and reproducible research on FWI. In particular, OpenFWI consists of 12 datasets (2.1TB in total) synthesized from multiple sources. It encompasses diverse domains in geophysics (interface, fault, CO2 reservoir, etc.), covers different geological subsurface structures (flat, curve, etc.), and contains various amounts of data samples (2K - 67K). It also includes a dataset for 3D FWI. Moreover, we use OpenFWI to perform benchmarking over four deep learning methods, covering both supervised and unsupervised learning regimes. In addition to evaluations on a single dataset, OpenFWI enables the study of generalization across datasets. Our study uncovers that the deep learning methods generalize poorly across domains, and the degradation connects to the complexity of subsurface structures. We hope OpenFWI facilitates diversified, rigorous, and reproducible research in the geophysics and machine learning community. All datasets and related information can be accessed through our website at https://openfwi-lanl.github.io/

In this paper, we propose the SCORE (self-concordant regularization) framework for unconstrained minimization problems which incorporates second-order information in the Newton decrement framework for convex optimization. We propose the generalized Gauss-Newton with Self-Concordant Regularization (GGN-SCORE) algorithm that updates the minimization variables each time it receives a new input batch. The proposed algorithm exploits the structure of the second-order information in the Hessian matrix, thereby reducing computational overhead. GGN-SCORE demonstrates how we may speed up convergence while also improving model generalization for problems that involve regularized minimization under the SCORE framework. Numerical experiments show the efficiency of our method and its fast convergence, which compare favorably against baseline first-order and quasi-Newton methods. Additional experiments involving non-convex (overparameterized) neural network training problems show similar convergence behaviour thereby highlighting the promise of the proposed algorithm for non-convex optimization.

Estimating personalized effects of treatments is a complex, yet pervasive problem. To tackle it, recent developments in the machine learning (ML) literature on heterogeneous treatment effect estimation gave rise to many sophisticated, but opaque, tools: due to their flexibility, modularity and ability to learn constrained representations, neural networks in particular have become central to this literature. Unfortunately, the assets of such black boxes come at a cost: models typically involve countless nontrivial operations, making it difficult to understand what they have learned. Yet, understanding these models can be crucial -- in a medical context, for example, discovered knowledge on treatment effect heterogeneity could inform treatment prescription in clinical practice. In this work, we therefore use post-hoc feature importance methods to identify features that influence the model's predictions. This allows us to evaluate treatment effect estimators along a new and important dimension that has been overlooked in previous work: We construct a benchmarking environment to empirically investigate the ability of personalized treatment effect models to identify predictive covariates -- covariates that determine differential responses to treatment. Our benchmarking environment then enables us to provide new insight into the strengths and weaknesses of different types of treatment effects models as we modulate different challenges specific to treatment effect estimation -- e.g. the ratio of prognostic to predictive information, the possible nonlinearity of potential outcomes and the presence and type of confounding.

The multi-reference alignment (MRA) problem entails estimating an image from multiple noisy and rotated copies of itself. If the noise level is low, one can reconstruct the image by estimating the missing rotations, aligning the images, and averaging out the noise. While accurate rotation estimation is impossible if the noise level is high, the rotations can still be approximated, and thus can provide indispensable information. In particular, learning the approximation error can be harnessed for efficient image estimation. In this paper, we propose a new computational framework, called Synch-EM, that consists of angular synchronization followed by expectation-maximization (EM). The synchronization step results in a concentrated distribution of rotations; this distribution is learned and then incorporated into the EM as a Bayesian prior. The learned distribution also dramatically reduces the search space, and thus the computational load, of the EM iterations. We show by extensive numerical experiments that the proposed framework can significantly accelerate EM for MRA in high noise levels, occasionally by a few orders of magnitude, without degrading the reconstruction quality.

Answering complex First-Order Logical (FOL) queries on large-scale incomplete knowledge graphs (KGs) is an important yet challenging task. Recent advances embed logical queries and KG entities in the same space and conduct query answering via dense similarity search. However, most logical operators designed in previous studies do not satisfy the axiomatic system of classical logic, limiting their performance. Moreover, these logical operators are parameterized and thus require many complex FOL queries as training data, which are often arduous to collect or even inaccessible in most real-world KGs. We thus present FuzzQE, a fuzzy logic based logical query embedding framework for answering FOL queries over KGs. FuzzQE follows fuzzy logic to define logical operators in a principled and learning-free manner, where only entity and relation embeddings require learning. FuzzQE can further benefit from labeled complex logical queries for training. Extensive experiments on two benchmark datasets demonstrate that FuzzQE provides significantly better performance in answering FOL queries compared to state-of-the-art methods. In addition, FuzzQE trained with only KG link prediction can achieve comparable performance to those trained with extra complex query data.

We study square loss in a realizable time-series framework with martingale difference noise. Our main result is a fast rate excess risk bound which shows that whenever a trajectory hypercontractivity condition holds, the risk of the least-squares estimator on dependent data matches the iid rate order-wise after a burn-in time. In comparison, many existing results in learning from dependent data have rates where the effective sample size is deflated by a factor of the mixing-time of the underlying process, even after the burn-in time. Furthermore, our results allow the covariate process to exhibit long range correlations which are substantially weaker than geometric ergodicity. We call this phenomenon learning with little mixing, and present several examples for when it occurs: bounded function classes for which the $L^2$ and $L^{2+\epsilon}$ norms are equivalent, ergodic finite state Markov chains, various parametric models, and a broad family of infinite dimensional $\ell^2(\mathbb{N})$ ellipsoids. By instantiating our main result to system identification of nonlinear dynamics with generalized linear model transitions, we obtain a nearly minimax optimal excess risk bound after only a polynomial burn-in time.

Real-world visual search systems involve deployments on multiple platforms with different computing and storage resources. Deploying a unified model that suits the minimal-constrain platforms leads to limited accuracy. It is expected to deploy models with different capacities adapting to the resource constraints, which requires features extracted by these models to be aligned in the metric space. The method to achieve feature alignments is called "compatible learning". Existing research mainly focuses on the one-to-one compatible paradigm, which is limited in learning compatibility among multiple models. We propose a Switchable representation learning Framework with Self-Compatibility (SFSC). SFSC generates a series of compatible sub-models with different capacities through one training process. The optimization of sub-models faces gradients conflict, and we mitigate it from the perspective of the magnitude and direction. We adjust the priorities of sub-models dynamically through uncertainty estimation to co-optimize sub-models properly. Besides, the gradients with conflicting directions are projected to avoid mutual interference. SFSC achieves state-of-art performance on the evaluated dataset.

Dynamically triggered earthquakes and tremor generate two classes of weak seismic signals whose detection, identification, and authentication traditionally call for laborious analyses. Machine learning (ML) has grown in recent years to be a powerful efficiency-boosting tool in geophysical analyses, including the detection of specific signals in time series. However, detecting weak signals that are buried in noise challenges ML algorithms, in part because ubiquitous training data is not always available. Under these circumstances, ML can be as ineffective as human experts are inefficient. At this intersection of effectiveness and efficiency, we leverage a third tool that has grown in popularity over the past decade: Citizen science. Citizen science project Earthquake Detective leverages the eyes and ears of volunteers to detect and classify weak signals in seismograms from potentially dynamically triggered (PDT) events. Here, we present the Earthquake Detective data set - A crowd-sourced set of labels on PDT earthquakes and tremor. We apply Machine Learning to classify these PDT seismic events and explore the challenges faced in segregating and classifying such weak signals. We confirm that with an image- and wavelet-based algorithm, machine learning can detect signals from small earthquakes. In addition, we report that our ML algorithm can also detect signals from PDT tremor, which has not been previously demonstrated. The citizen science data set of classifications and ML code are available online.

In this study, we propose a cross-domain multi-objective speech assessment model called MOSA-Net, which can estimate multiple speech assessment metrics simultaneously. Experimental results show that MOSA-Net can improve the linear correlation coefficient (LCC) by 0.026 (0.990 vs 0.964 in seen noise environments) and 0.012 (0.969 vs 0.957 in unseen noise environments) in PESQ prediction, compared to Quality-Net, an existing single-task model for PESQ prediction, and improve LCC by 0.021 (0.985 vs 0.964 in seen noise environments) and 0.047 (0.836 vs 0.789 in unseen noise environments) in STOI prediction, compared to STOI-Net (based on CRNN), an existing single-task model for STOI prediction. Moreover, MOSA-Net, originally trained to assess objective scores, can be used as a pre-trained model to be effectively adapted to an assessment model for predicting subjective quality and intelligibility scores with a limited amount of training data. Experimental results show that MOSA-Net can improve LCC by 0.018 (0.805 vs 0.787) in MOS prediction, compared to MOS-SSL, a strong single-task model for MOS prediction. In light of the confirmed prediction capability, we further adopt the latent representations of MOSA-Net to guide the speech enhancement (SE) process and derive a quality-intelligibility (QI)-aware SE (QIA-SE) approach accordingly. Experimental results show that QIA-SE provides superior enhancement performance compared with the baseline SE system in terms of objective evaluation metrics and qualitative evaluation test. For example, QIA-SE can improve PESQ by 0.301 (2.953 vs 2.652 in seen noise environments) and 0.18 (2.658 vs 2.478 in unseen noise environments) over a CNN-based baseline SE model.

Shared-account Cross-domain Sequential Recommendation (SCSR) task aims to recommend the next item via leveraging the mixed user behaviors in multiple domains. It is gaining immense research attention as more and more users tend to sign up on different platforms and share accounts with others to access domain-specific services. Existing works on SCSR mainly rely on mining sequential patterns via Recurrent Neural Network (RNN)-based models, which suffer from the following limitations: 1) RNN-based methods overwhelmingly target discovering sequential dependencies in single-user behaviors. They are not expressive enough to capture the relationships among multiple entities in SCSR. 2) All existing methods bridge two domains via knowledge transfer in the latent space, and ignore the explicit cross-domain graph structure. 3) None existing studies consider the time interval information among items, which is essential in the sequential recommendation for characterizing different items and learning discriminative representations for them. In this work, we propose a new graph-based solution, namely TiDA-GCN, to address the above challenges. Specifically, we first link users and items in each domain as a graph. Then, we devise a domain-aware graph convolution network to learn userspecific node representations. To fully account for users' domainspecific preferences on items, two effective attention mechanisms are further developed to selectively guide the message passing process. Moreover, to further enhance item- and account-level representation learning, we incorporate the time interval into the message passing, and design an account-aware self-attention module for learning items' interactive characteristics. Experiments demonstrate the superiority of our proposed method from various aspects.

Natural Language Processing (NLP) techniques can be applied to help with the diagnosis of medical conditions such as depression, using a collection of a person's utterances. Depression is a serious medical illness that can have adverse effects on how one feels, thinks, and acts, which can lead to emotional and physical problems. Due to the sensitive nature of such data, privacy measures need to be taken for handling and training models with such data. In this work, we study the effects that the application of Differential Privacy (DP) has, in both a centralized and a Federated Learning (FL) setup, on training contextualized language models (BERT, ALBERT, RoBERTa and DistilBERT). We offer insights on how to privately train NLP models and what architectures and setups provide more desirable privacy utility trade-offs. We envisage this work to be used in future healthcare and mental health studies to keep medical history private. Therefore, we provide an open-source implementation of this work.

Foundational work on the Lottery Ticket Hypothesis has suggested an exciting corollary: winning tickets found in the context of one task can be transferred to similar tasks, possibly even across different architectures. This has generated broad interest, but methods to study this universality are lacking. We make use of renormalization group theory, a powerful tool from theoretical physics, to address this need. We find that iterative magnitude pruning, the principal algorithm used for discovering winning tickets, is a renormalization group scheme, and can be viewed as inducing a flow in parameter space. We demonstrate that ResNet-50 models with transferable winning tickets have flows with common properties, as would be expected from the theory. Similar observations are made for BERT models, with evidence that their flows are near fixed points. Additionally, we leverage our framework to study winning tickets transferred across ResNet architectures, observing that smaller models have flows with more uniform properties than larger models, complicating transfer between them.

We propose a conservative energy method based on neural networks with subdomains for solving variational problems (CENN), where the admissible function satisfying the essential boundary condition without boundary penalty is constructed by the radial basis function (RBF), particular solution neural network, and general neural network. Loss term is the potential energy, optimized based on the principle of minimum potential energy. The loss term at the interfaces has the lower order derivative compared to the strong form PINN with subdomains. The advantage of the proposed method is higher efficiency, more accurate, and less hyperparameters than the strong form PINN with subdomains. Another advantage of the proposed method is that it can apply to complex geometries based on the special construction of the admissible function. To analyze its performance, the proposed method CENN is used to model representative PDEs, the examples include strong discontinuity, singularity, complex boundary, non-linear, and heterogeneous problems. Furthermore, it outperforms other methods when dealing with heterogeneous problems.

What is the best way to exploit extra data -- be it unlabeled data from the same task, or labeled data from a related task -- to learn a given task? This paper formalizes the question using the theory of reference priors. Reference priors are objective, uninformative Bayesian priors that maximize the mutual information between the task and the weights of the model. Such priors enable the task to maximally affect the Bayesian posterior, e.g., reference priors depend upon the number of samples available for learning the task and for very small sample sizes, the prior puts more probability mass on low-complexity models in the hypothesis space. This paper presents the first demonstration of reference priors for medium-scale deep networks and image-based data. We develop generalizations of reference priors and demonstrate applications to two problems. First, by using unlabeled data to compute the reference prior, we develop new Bayesian semi-supervised learning methods that remain effective even with very few samples per class. Second, by using labeled data from the source task to compute the reference prior, we develop a new pretraining method for transfer learning that allows data from the target task to maximally affect the Bayesian posterior. Empirical validation of these methods is conducted on image classification datasets. Code is available at https://github.com/grasp-lyrl/deep_reference_priors.

Data augmentation is a necessity to enhance data efficiency in deep learning. For vision-language pre-training, data is only augmented either for images or for text in previous works. In this paper, we present MixGen: a joint data augmentation for vision-language representation learning to further improve data efficiency. It generates new image-text pairs with semantic relationships preserved by interpolating images and concatenating text. It's simple, and can be plug-and-played into existing pipelines. We evaluate MixGen on four architectures, including CLIP, ViLT, ALBEF and TCL, across five downstream vision-language tasks to show its versatility and effectiveness. For example, adding MixGen in ALBEF pre-training leads to absolute performance improvements on downstream tasks: image-text retrieval (+6.2% on COCO fine-tuned and +5.3% on Flicker30K zero-shot), visual grounding (+0.9% on RefCOCO+), visual reasoning (+0.9% on NLVR$^{2}$), visual question answering (+0.3% on VQA2.0), and visual entailment (+0.4% on SNLI-VE).

We develop a new approach to tackle communication constraints in a distributed learning problem with a central server. We propose and analyze a new algorithm that performs bidirectional compression and achieves the same convergence rate as algorithms using only uplink (from the local workers to the central server) compression. To obtain this improvement, we design MCM, an algorithm such that the downlink compression only impacts local models, while the global model is preserved. As a result, and contrary to previous works, the gradients on local servers are computed on perturbed models. Consequently, convergence proofs are more challenging and require a precise control of this perturbation. To ensure it, MCM additionally combines model compression with a memory mechanism. This analysis opens new doors, e.g. incorporating worker dependent randomized-models and partial participation.

Reconstructing medical images from partial measurements is an important inverse problem in Computed Tomography (CT) and Magnetic Resonance Imaging (MRI). Existing solutions based on machine learning typically train a model to directly map measurements to medical images, leveraging a training dataset of paired images and measurements. These measurements are typically synthesized from images using a fixed physical model of the measurement process, which hinders the generalization capability of models to unknown measurement processes. To address this issue, we propose a fully unsupervised technique for inverse problem solving, leveraging the recently introduced score-based generative models. Specifically, we first train a score-based generative model on medical images to capture their prior distribution. Given measurements and a physical model of the measurement process at test time, we introduce a sampling method to reconstruct an image consistent with both the prior and the observed measurements. Our method does not assume a fixed measurement process during training, and can thus be flexibly adapted to different measurement processes at test time. Empirically, we observe comparable or better performance to supervised learning techniques in several medical imaging tasks in CT and MRI, while demonstrating significantly better generalization to unknown measurement processes.

Accurately estimating personalized treatment effects within a study site (e.g., a hospital) has been challenging due to limited sample size. Furthermore, privacy considerations and lack of resources prevent a site from leveraging subject-level data from other sites. We propose a tree-based model averaging approach to improve the estimation accuracy of conditional average treatment effects (CATE) at a target site by leveraging models derived from other potentially heterogeneous sites, without them sharing subject-level data. To our best knowledge, there is no established model averaging approach for distributed data with a focus on improving the estimation of treatment effects. Specifically, under distributed data networks, our framework provides an interpretable tree-based ensemble of CATE estimators that joins models across study sites, while actively modeling the heterogeneity in data sources through site partitioning. The performance of this approach is demonstrated by a real-world study of the causal effects of oxygen therapy on hospital survival rate and backed up by comprehensive simulation results.

Machine learning has shown extensive growth in recent years and is now routinely applied to sensitive areas. To allow appropriate verification of predictive models before deployment, models must be deterministic. However, major machine learning libraries default to the usage of non-deterministic algorithms based on atomic operations. Solely fixing all random seeds is not sufficient for deterministic machine learning. To overcome this shortcoming, various machine learning libraries released deterministic counterparts to the non-deterministic algorithms. We evaluated the effect of these algorithms on determinism and runtime. Based on these results, we formulated a set of requirements for deterministic machine learning and developed a new software solution, the mlf-core ecosystem, which aids machine learning projects to meet and keep these requirements. We applied mlf-core to develop deterministic models in various biomedical fields including a single cell autoencoder with TensorFlow, a PyTorch-based U-Net model for liver-tumor segmentation in CT scans, and a liver cancer classifier based on gene expression profiles with XGBoost.

Closed-loop brain stimulation refers to capturing neurophysiological measures such as electroencephalography (EEG), quickly identifying neural events of interest, and producing auditory, magnetic or electrical stimulation so as to interact with brain processes precisely. It is a promising new method for fundamental neuroscience and perhaps for clinical applications such as restoring degraded memory function; however, existing tools are expensive, cumbersome, and offer limited experimental flexibility. In this article, we propose the Portiloop, a deep learning-based, portable and low-cost closed-loop stimulation system able to target specific brain oscillations. We first document open-hardware implementations that can be constructed from commercially available components. We also provide a fast, lightweight neural network model and an exploration algorithm that automatically optimizes the model hyperparameters to the desired brain oscillation. Finally, we validate the technology on a challenging test case of real-time sleep spindle detection, with results comparable to off-line expert performance on the Massive Online Data Annotation spindle dataset (MODA; group consensus). Software and plans are available to the community as an open science initiative to encourage further development and advance closed-loop neuroscience research.

We propose an audio-to-audio neural network model that learns to denoise old music recordings. Our model internally converts its input into a time-frequency representation by means of a short-time Fourier transform (STFT), and processes the resulting complex spectrogram using a convolutional neural network. The network is trained with both reconstruction and adversarial objectives on a synthetic noisy music dataset, which is created by mixing clean music with real noise samples extracted from quiet segments of old recordings. We evaluate our method quantitatively on held-out test examples of the synthetic dataset, and qualitatively by human rating on samples of actual historical recordings. Our results show that the proposed method is effective in removing noise, while preserving the quality and details of the original music.

A new federated learning (FL) framework enabled by large-scale wireless connectivity is proposed for designing the autonomous controller of connected and autonomous vehicles (CAVs). In this framework, the learning models used by the controllers are collaboratively trained among a group of CAVs. To capture the varying CAV participation in the FL training process and the diverse local data quality among CAVs, a novel dynamic federated proximal (DFP) algorithm is proposed that accounts for the mobility of CAVs, the wireless fading channels, as well as the unbalanced and nonindependent and identically distributed data across CAVs. A rigorous convergence analysis is performed for the proposed algorithm to identify how fast the CAVs converge to using the optimal autonomous controller. In particular, the impacts of varying CAV participation in the FL process and diverse CAV data quality on the convergence of the proposed DFP algorithm are explicitly analyzed. Leveraging this analysis, an incentive mechanism based on contract theory is designed to improve the FL convergence speed. Simulation results using real vehicular data traces show that the proposed DFP-based controller can accurately track the target CAV speed over time and under different traffic scenarios. Moreover, the results show that the proposed DFP algorithm has a much faster convergence compared to popular FL algorithms such as federated averaging (FedAvg) and federated proximal (FedProx). The results also validate the feasibility of the contract-theoretic incentive mechanism and show that the proposed mechanism can improve the convergence speed of the DFP algorithm by 40% compared to the baselines.

We present the Local Self-Balancing sampler (LSB), a local Markov Chain Monte Carlo (MCMC) method for sampling in purely discrete domains, which is able to autonomously adapt to the target distribution and to reduce the number of target evaluations required to converge. LSB is based on (i) a parametrization of locally balanced proposals, (ii) a newly proposed objective function based on mutual information and (iii) a self-balancing learning procedure, which minimises the proposed objective to update the proposal parameters. Experiments on energy-based models and Markov networks show that LSB converges using a smaller number of queries to the oracle distribution compared to recent local MCMC samplers.

Generating safety-critical scenarios, which are crucial yet difficult to collect, provides an effective way to evaluate the robustness of autonomous driving systems. However, the diversity of scenarios and efficiency of generation methods are heavily restricted by the rareness and structure of safety-critical scenarios. Therefore, existing generative models that only estimate distributions from observational data are not satisfying to solve this problem. In this paper, we integrate causality as a prior into the scenario generation and propose a flow-based generative framework, Causal Autoregressive Flow (CausalAF). CausalAF encourages the generative model to uncover and follow the causal relationship among generated objects via novel causal masking operations instead of searching the sample only from observational data. By learning the cause-and-effect mechanism of how the generated scenario causes risk situations rather than just learning correlations from data, CausalAF significantly improves learning efficiency. Extensive experiments on three heterogeneous traffic scenarios illustrate that CausalAF requires much fewer optimization resources to effectively generate safety-critical scenarios. We also show that using generated scenarios as additional training samples empirically improves the robustness of autonomous driving algorithms.

We study a decentralized variant of stochastic approximation, a data-driven approach for finding the root of an operator under noisy measurements. A network of agents, each with its own operator and data observations, cooperatively find the fixed point of the aggregate operator over a decentralized communication graph. Our main contribution is to provide a finite-time analysis of this decentralized stochastic approximation method when the data observed at each agent are sampled from a Markov process; this lack of independence makes the iterates biased and (potentially) unbounded. Under fairly standard assumptions, we show that the convergence rate of the proposed method is essentially the same as if the samples were independent, differing only by a log factor that accounts for the mixing time of the Markov processes. The key idea in our analysis is to introduce a novel Razumikhin-Lyapunov function, motivated by the one used in analyzing the stability of delayed ordinary differential equations. We also discuss applications of the proposed method on a number of interesting learning problems in multi-agent systems.

Current domain-independent, classical planners require symbolic models of the problem domain and instance as input, resulting in a knowledge acquisition bottleneck. Meanwhile, although deep learning has achieved significant success in many fields, the knowledge is encoded in a subsymbolic representation which is incompatible with symbolic systems such as planners. We propose Latplan, an unsupervised architecture combining deep learning and classical planning. Given only an unlabeled set of image pairs showing a subset of transitions allowed in the environment (training inputs), Latplan learns a complete propositional PDDL action model of the environment. Later, when a pair of images representing the initial and the goal states (planning inputs) is given, Latplan finds a plan to the goal state in a symbolic latent space and returns a visualized plan execution. We evaluate Latplan using image-based versions of 6 planning domains: 8-puzzle, 15-Puzzle, Blocksworld, Sokoban and Two variations of LightsOut.

Counterfactual inference is a powerful tool, capable of solving challenging problems in high-profile sectors. To perform counterfactual inference, one requires knowledge of the underlying causal mechanisms. However, causal mechanisms cannot be uniquely determined from observations and interventions alone. This raises the question of how to choose the causal mechanisms so that resulting counterfactual inference is trustworthy in a given domain. This question has been addressed in causal models with binary variables, but the case of categorical variables remains unanswered. We address this challenge by introducing for causal models with categorical variables the notion of counterfactual ordering, a principle that posits desirable properties causal mechanisms should posses, and prove that it is equivalent to specific functional constraints on the causal mechanisms. To learn causal mechanisms satisfying these constraints, and perform counterfactual inference with them, we introduce deep twin networks. These are deep neural networks that, when trained, are capable of twin network counterfactual inference -- an alternative to the abduction, action, & prediction method. We empirically test our approach on diverse real-world and semi-synthetic data from medicine, epidemiology, and finance, reporting accurate estimation of counterfactual probabilities while demonstrating the issues that arise with counterfactual reasoning when counterfactual ordering is not enforced.

There is a recent literature on large-width properties of Gaussian neural networks (NNs), i.e. NNs whose weights are distributed according to Gaussian distributions. Two popular problems are: i) the study of the large-width behaviour of NNs, which provided a characterization of the infinitely wide limit of a rescaled NN in terms of a Gaussian process; ii) the study of the large-width training dynamics of NNs, which set forth an equivalence between training the rescaled NN and performing a kernel regression with a deterministic kernel referred to as the neural tangent kernel (NTK). In this paper, we consider these problems for $\alpha$-Stable NNs, which generalize Gaussian NNs by assuming that the NN's weights are distributed as $\alpha$-Stable distributions with $\alpha\in(0,2]$, i.e. distributions with heavy tails. For shallow $\alpha$-Stable NNs with a ReLU activation function, we show that if the NN's width goes to infinity then a rescaled NN converges weakly to an $\alpha$-Stable process, i.e. a stochastic process with $\alpha$-Stable finite-dimensional distributions. As a novelty with respect to the Gaussian setting, in the $\alpha$-Stable setting the choice of the activation function affects the scaling of the NN, that is: to achieve the infinitely wide $\alpha$-Stable process, the ReLU function requires an additional logarithmic scaling with respect to sub-linear functions. Then, our main contribution is the NTK analysis of shallow $\alpha$-Stable ReLU-NNs, which leads to an equivalence between training a rescaled NN and performing a kernel regression with an $(\alpha/2)$-Stable random kernel. The randomness of such a kernel is a further novelty with respect to the Gaussian setting, that is: in the $\alpha$-Stable setting the randomness of the NN at initialization does not vanish in the NTK analysis, thus inducing a distribution for the kernel of the underlying kernel regression.

Face anti-spoofing is the key to preventing security breaches in biometric recognition applications. Existing software-based and hardware-based face liveness detection methods are effective in constrained environments or designated datasets only. Deep learning method using RGB and infrared images demands a large amount of training data for new attacks. In this paper, we present a face anti-spoofing method in a real-world scenario by automatic learning the physical characteristics in polarization images of a real face compared to a deceptive attack. A computational framework is developed to extract and classify the unique face features using convolutional neural networks and SVM together. Our real-time polarized face anti-spoofing (PAAS) detection method uses a on-chip integrated polarization imaging sensor with optimized processing algorithms. Extensive experiments demonstrate the advantages of the PAAS technique to counter diverse face spoofing attacks (print, replay, mask) in uncontrolled indoor and outdoor conditions by learning polarized face images of 33 people. A four-directional polarized face image dataset is released to inspire future applications within biometric anti-spoofing field.

Drug repurposing can accelerate the identification of effective compounds for clinical use against SARS-CoV-2, with the advantage of pre-existing clinical safety data and an established supply chain. RNA viruses such as SARS-CoV-2 manipulate cellular pathways and induce reorganization of subcellular structures to support their life cycle. These morphological changes can be quantified using bioimaging techniques. In this work, we developed DEEMD: a computational pipeline using deep neural network models within a multiple instance learning framework, to identify putative treatments effective against SARS-CoV-2 based on morphological analysis of the publicly available RxRx19a dataset. This dataset consists of fluorescence microscopy images of SARS-CoV-2 non-infected cells and infected cells, with and without drug treatment. DEEMD first extracts discriminative morphological features to generate cell morphological profiles from the non-infected and infected cells. These morphological profiles are then used in a statistical model to estimate the applied treatment efficacy on infected cells based on similarities to non-infected cells. DEEMD is capable of localizing infected cells via weak supervision without any expensive pixel-level annotations. DEEMD identifies known SARS-CoV-2 inhibitors, such as Remdesivir and Aloxistatin, supporting the validity of our approach. DEEMD can be explored for use on other emerging viruses and datasets to rapidly identify candidate antiviral treatments in the future}. Our implementation is available online at https://www.github.com/Sadegh-Saberian/DEEMD

AI systems that can capture human-like behavior are becoming increasingly useful in situations where humans may want to learn from these systems, collaborate with them, or engage with them as partners for an extended duration. In order to develop human-oriented AI systems, the problem of predicting human actions -- as opposed to predicting optimal actions -- has received considerable attention. Existing work has focused on capturing human behavior in an aggregate sense, which potentially limits the benefit any particular individual could gain from interaction with these systems. We extend this line of work by developing highly accurate predictive models of individual human behavior in chess. Chess is a rich domain for exploring human-AI interaction because it combines a unique set of properties: AI systems achieved superhuman performance many years ago, and yet humans still interact with them closely, both as opponents and as preparation tools, and there is an enormous corpus of recorded data on individual player games. Starting with Maia, an open-source version of AlphaZero trained on a population of human players, we demonstrate that we can significantly improve prediction accuracy of a particular player's moves by applying a series of fine-tuning methods. Furthermore, our personalized models can be used to perform stylometry -- predicting who made a given set of moves -- indicating that they capture human decision-making at an individual level. Our work demonstrates a way to bring AI systems into better alignment with the behavior of individual people, which could lead to large improvements in human-AI interaction.

Semi-supervised learning (SSL) is one of the most promising paradigms to circumvent the expensive labeling cost for building a high-performance model. Most existing SSL methods conventionally assume both labeled and unlabeled data are drawn from the same (class) distribution. However, unlabeled data may include out-of-class samples in practice; those that cannot have one-hot encoded labels from a closed-set of classes in label data, i.e. unlabeled data is an open-set. In this paper, we introduce OpenCoS, a method for handling this realistic semi-supervised learning scenario based upon a recent framework of self-supervised visual representation learning. Specifically, we first observe that the out-of-class samples in the open-set unlabeled dataset can be identified effectively via self-supervised contrastive learning. Then, OpenCoS utilizes this information to overcome the failure modes in the existing state-of-the-art semi-supervised methods, by utilizing one-hot pseudo-labels and soft-labels for the identified in- and out-of-class unlabeled data, respectively. Our extensive experimental results show the effectiveness of OpenCoS, fixing up the state-of-the-art semi-supervised methods to be suitable for diverse scenarios involving open-set unlabeled data.

Graph Neural Networks (GNNs) that are based on the message passing (MP) paradigm exchange information between 1-hop neighbors to build node representations at each layer. In principle, such networks are not able to capture long-range interactions (LRI) that may be desired or necessary for learning a given task on graphs. Recently, there has been an increasing interest in development of Transformer-based methods for graphs that can consider full node connectivity beyond the original sparse structure, thus enabling the modeling of LRI. However, MP-GNNs that simply rely on 1-hop message passing often fare better in several existing graph benchmarks when combined with positional feature representations, among other innovations, hence limiting the perceived utility and ranking of Transformer-like architectures. Here, we present the Long Range Graph Benchmark (LRGB) with 5 graph learning datasets: PascalVOC-SP, COCO-SP, PCQM-Contact, Peptides-func and Peptides-struct that arguably require LRI reasoning to achieve strong performance in a given task. We benchmark both baseline GNNs and Graph Transformer networks to verify that the models which capture long-range dependencies perform significantly better on these tasks. Therefore, these datasets are suitable for benchmarking and exploration of MP-GNNs and Graph Transformer architectures that are intended to capture LRI.

Sutton, Szepesv\'{a}ri and Maei introduced the first gradient temporal-difference (GTD) learning algorithms compatible with both linear function approximation and off-policy training. The goal of this paper is (a) to propose some variants of GTDs with extensive comparative analysis and (b) to establish new theoretical analysis frameworks for the GTDs. These variants are based on convex-concave saddle-point interpretations of GTDs, which effectively unify all the GTDs into a single framework, and provide simple stability analysis based on recent results on primal-dual gradient dynamics. Finally, numerical comparative analysis is given to evaluate these approaches.

When the regression function belongs to the smooth classes consisting of univariate functions with derivatives up to the $(\gamma+1)$th order bounded in absolute values by a common constant everywhere or a.e., it is generally viewed that exploiting higher degree smoothness assumption helps reduce the estimation error. This paper shows that the minimax optimal mean integrated squared error (MISE) rate increases in $\gamma$ when the sample size $n$ is small relative to $\left(\gamma+1\right)^{2\gamma+3}$ (e.g., $\left(\gamma+1\right)^{2\gamma+3}=262144$ when $\gamma=3$), and decreases in $\gamma$ when $n$ is large relative to $\left(\gamma+1\right)^{2\gamma+3}$. In particular, this phase transition property is shown to be achieved by common nonparametric procedures. Consider $\gamma_{1}$ and $\gamma_{2}$ such that $\gamma_{1}<\gamma_{2}$, where the $(\gamma_{2}+1)$th degree smoothness class is a subset of the $(\gamma_{1}+1)$th degree class. What is interesting about our results is that they imply, if $n$ is small relative to $\left(\gamma_{1}+1\right)^{2\gamma_{1}+3}$, the optimal rate achieved by the estimator constrained to be in the smoother class is larger. In data sets with fewer than hundreds-of-thousands observations, our results suggest that one should not exploit beyond the third degree of smoothness. To some extent, our results provide a theoretical basis for the widely adopted practical recommendation given by Gelman and Imbens (2019). The building blocks of our minimax optimality results are a set of metric entropy bounds we develop in this paper for smooth function classes. Some of our bounds are original, and some of them refine and/or generalize the ones in the literature.

The learned policy of model-free offline reinforcement learning (RL) methods is often constrained to stay within the support of datasets to avoid possible dangerous out-of-distribution actions or states, making it challenging to handle out-of-support region. Model-based RL methods offer a richer dataset and benefit generalization by generating imaginary trajectories with either trained forward or reverse dynamics model. However, the imagined transitions may be inaccurate, thus downgrading the performance of the underlying offline RL method. In this paper, we propose to augment the offline dataset by using trained bidirectional dynamics models and rollout policies with double check. We introduce conservatism by trusting samples that the forward model and backward model agree on. Our method, confidence-aware bidirectional offline model-based imagination, generates reliable samples and can be combined with any model-free offline RL method. Experimental results on the D4RL benchmarks demonstrate that our method significantly boosts the performance of existing model-free offline RL algorithms and achieves competitive or better scores against baseline methods.

Strategic interactions between a group of individuals or organisations can be modelled as games played on networks, where a player's payoff depends not only on their actions but also on those of their neighbours. Inferring the network structure from observed game outcomes (equilibrium actions) is an important problem with numerous potential applications in economics and social sciences. Existing methods mostly require the knowledge of the utility function associated with the game, which is often unrealistic to obtain in real-world scenarios. We adopt a transformer-like architecture which correctly accounts for the symmetries of the problem and learns a mapping from the equilibrium actions to the network structure of the game without explicit knowledge of the utility function. We test our method on three different types of network games using both synthetic and real-world data, and demonstrate its effectiveness in network structure inference and superior performance over existing methods.

Message passing has evolved as an effective tool for designing Graph Neural Networks (GNNs). However, most existing methods for message passing simply sum or average all the neighboring features to update node representations. They are restricted by two problems, i.e., (i) lack of interpretability to identify node features significant to the prediction of GNNs, and (ii) feature over-mixing that leads to the over-smoothing issue in capturing long-range dependencies and inability to handle graphs under heterophily or low homophily. In this paper, we propose a Node-level Capsule Graph Neural Network (NCGNN) to address these problems with an improved message passing scheme. Specifically, NCGNN represents nodes as groups of node-level capsules, in which each capsule extracts distinctive features of its corresponding node. For each node-level capsule, a novel dynamic routing procedure is developed to adaptively select appropriate capsules for aggregation from a subgraph identified by the designed graph filter. NCGNN aggregates only the advantageous capsules and restrains irrelevant messages to avoid over-mixing features of interacting nodes. Therefore, it can relieve the over-smoothing issue and learn effective node representations over graphs with homophily or heterophily. Furthermore, our proposed message passing scheme is inherently interpretable and exempt from complex post-hoc explanations, as the graph filter and the dynamic routing procedure identify a subset of node features that are most significant to the model prediction from the extracted subgraph. Extensive experiments on synthetic as well as real-world graphs demonstrate that NCGNN can well address the over-smoothing issue and produce better node representations for semisupervised node classification. It outperforms the state of the arts under both homophily and heterophily.

The problem of online learning with graph feedback has been extensively studied in the literature due to its generality and potential to model various learning tasks. Existing works mainly study the adversarial and stochastic feedback separately. If the prior knowledge of the feedback mechanism is unavailable or wrong, such specially designed algorithms could suffer great loss. To avoid this problem, \citet{erez2021towards} try to optimize for both environments. However, they assume the feedback graphs are undirected and each vertex has a self-loop, which compromises the generality of the framework and may not be satisfied in applications. With a general feedback graph, the observation of an arm may not be available when this arm is pulled, which makes the exploration more expensive and the algorithms more challenging to perform optimally in both environments. In this work, we overcome this difficulty by a new trade-off mechanism with a carefully-designed proportion for exploration and exploitation. We prove the proposed algorithm simultaneously achieves $\mathrm{poly} \log T$ regret in the stochastic setting and minimax-optimal regret of $\tilde{O}(T^{2/3})$ in the adversarial setting where $T$ is the horizon and $\tilde{O}$ hides parameters independent of $T$ as well as logarithmic terms. To our knowledge, this is the first best-of-both-worlds result for general feedback graphs.

Adversarial training (AT) is a simple yet effective defense against adversarial attacks to image classification systems, which is based on augmenting the training set with attacks that maximize the loss. However, the effectiveness of AT as a defense for video classification has not been thoroughly studied. Our first contribution is to show that generating optimal attacks for video requires carefully tuning the attack parameters, especially the step size. Notably, we show that the optimal step size varies linearly with the attack budget. Our second contribution is to show that using a smaller (sub-optimal) attack budget at training time leads to a more robust performance at test time. Based on these findings, we propose three defenses against attacks with variable attack budgets. The first one, Adaptive AT, is a technique where the attack budget is drawn from a distribution that is adapted as training iterations proceed. The second, Curriculum AT, is a technique where the attack budget is increased as training iterations proceed. The third, Generative AT, further couples AT with a denoising generative adversarial network to boost robust performance. Experiments on the UCF101 dataset demonstrate that the proposed methods improve adversarial robustness against multiple attack types.

In this paper we investigate Charon's craters size distribution using a deep learning model. This is motivated by the recent results of Singer et al. (2019) who, using manual cataloging, found a change in the size distribution slope of craters smaller than 12 km in diameter, translating into a paucity of small Kuiper Belt objects. These results were corroborated by Robbins and Singer (2021), but opposed by Morbidelli et al. (2021), necessitating an independent review. Our MaskRCNN-based ensemble of models was trained on Lunar, Mercurian, and Martian crater catalogues and both optical and digital elevation images. We use a robust image augmentation scheme to force the model to generalize and transfer-learn into icy objects. With no prior bias or exposure to Charon, our model find best fit slopes of q =-1.47+-0.33 for craters smaller than 10 km, and q =-2.91+-0.51 for craters larger than 15 km. These values indicate a clear change in slope around 15 km as suggested by Singer et al. (2019) and thus independently confirm their conclusions. Our slopes however are both slightly flatter than those found more recently by Robbins and Singer (2021). Our trained models and relevant codes are available online on github.com/malidib/ACID .

Online few-shot learning describes a setting where models are trained and evaluated on a stream of data while learning emerging classes. While prior work in this setting has achieved very promising performance on instance classification when learning from data-streams composed of a single indoor environment, we propose to extend this setting to consider object classification on a series of several indoor environments, which is likely to occur in applications such as robotics. Importantly, our setting, which we refer to as online few-shot continual learning, injects the well-studied issue of catastrophic forgetting into the few-shot online learning paradigm. In this work, we benchmark several existing methods and adapted baselines within our setting, and show there exists a trade-off between catastrophic forgetting and online performance. Our findings motivate the need for future work in this setting, which can achieve better online performance without catastrophic forgetting.

INTRODUCTION: Artificial intelligence (AI) has the potential to facilitate the automation of CMR analysis for biomarker extraction. However, most AI algorithms are trained on a specific input domain (e.g., single scanner vendor or hospital-tailored imaging protocol) and lack the robustness to perform optimally when applied to CMR data from other input domains. METHODS: Our proposed framework consists of an AI-based algorithm for biventricular segmentation of short-axis images, followed by a post-analysis quality control to detect erroneous results. The segmentation algorithm was trained on a large dataset of clinical CMR scans from two NHS hospitals (n=2793) and validated on additional cases from this dataset (n=441) and on five external datasets (n=6808). The validation data included CMR scans of patients with a range of diseases acquired at 12 different centres using CMR scanners from all major vendors. RESULTS: Our method yielded median Dice scores over 87%, translating into median absolute errors in cardiac biomarkers within the range of inter-observer variability: <8.4mL (left ventricle), <9.2mL (right ventricle), <13.3g (left ventricular mass), and <5.9% (ejection fraction) across all datasets. Stratification of cases according to phenotypes of cardiac disease and scanner vendors showed good agreement. CONCLUSIONS: We show that our proposed tool, which combines a state-of-the-art AI algorithm trained on a large-scale multi-domain CMR dataset with a post-analysis quality control, allows us to robustly deal with routine clinical data from multiple centres, vendors, and cardiac diseases. This is a fundamental step for the clinical translation of AI algorithms. Moreover, our method yields a range of additional biomarkers of cardiac function (filling and ejection rates, regional wall motion, and strain) at no extra computational cost.

Safety guarantee is essential in many engineering implementations. Reinforcement learning provides a useful way to strengthen safety. However, reinforcement learning algorithms cannot completely guarantee safety over realistic operations. To address this issue, this work adopts control barrier functions over reinforcement learning, and proposes a compensated algorithm to completely maintain safety. Specifically, a sum-of-squares programming has been exploited to search for the optimal controller, and tune the learning hyperparameters simultaneously. Thus, the control actions are pledged to be always within the safe region. The effectiveness of proposed method is demonstrated via an inverted pendulum model. Compared to quadratic programming based reinforcement learning methods, our sum-of-squares programming based reinforcement learning has shown its superiority.

A common theme in causal inference is learning causal relationships between observed variables, also known as causal discovery. This is usually a daunting task, given the large number of candidate causal graphs and the combinatorial nature of the search space. Perhaps for this reason, most research has so far focused on relatively small causal graphs, with up to hundreds of nodes. However, recent advances in fields like biology enable generating experimental data sets with thousands of interventions followed by rich profiling of thousands of variables, raising the opportunity and urgent need for large causal graph models. Here, we introduce the notion of factor directed acyclic graphs (f-DAGs) as a way to restrict the search space to non-linear low-rank causal interaction models. Combining this novel structural assumption with recent advances that bridge the gap between causal discovery and continuous optimization, we achieve causal discovery on thousands of variables. Additionally, as a model for the impact of statistical noise on this estimation procedure, we study a model of edge perturbations of the f-DAG skeleton based on random graphs and quantify the effect of such perturbations on the f-DAG rank. This theoretical analysis suggests that the set of candidate f-DAGs is much smaller than the whole DAG space and thus more statistically robust in the high-dimensional regime where the underlying skeleton is hard to assess. We propose Differentiable Causal Discovery of Factor Graphs (DCD-FG), a scalable implementation of f-DAG constrained causal discovery for high-dimensional interventional data. DCD-FG uses a Gaussian non-linear low-rank structural equation model and shows significant improvements compared to state-of-the-art methods in both simulations as well as a recent large-scale single-cell RNA sequencing data set with hundreds of genetic interventions.

Acoustic scene classification is an automatic listening problem that aims to assign an audio recording to a pre-defined scene based on its audio data. Over the years (and in past editions of the DCASE) this problem has often been solved with techniques known as ensembles (use of several machine learning models to combine their predictions in the inference phase). While these solutions can show performance in terms of accuracy, they can be very expensive in terms of computational capacity, making it impossible to deploy them in IoT devices. Due to the drift in this field of study, this task has two limitations in terms of model complexity. It should be noted that there is also the added complexity of mismatching devices (the audios provided are recorded by different sources of information). This technical report makes a comparative study of two different network architectures: conventional CNN and Conv-mixer. Although both networks exceed the baseline required by the competition, the conventional CNN shows a higher performance, exceeding the baseline by 8 percentage points. Solutions based on Conv-mixer architectures show worse performance although they are much lighter solutions.

As machine learning becomes more widespread throughout society, aspects including data privacy and fairness must be carefully considered, and are crucial for deployment in highly regulated industries. Unfortunately, the application of privacy enhancing technologies can worsen unfair tendencies in models. In particular, one of the most widely used techniques for private model training, differentially private stochastic gradient descent (DPSGD), frequently intensifies disparate impact on groups within data. In this work we study the fine-grained causes of unfairness in DPSGD and identify gradient misalignment due to inequitable gradient clipping as the most significant source. This observation leads us to a new method for reducing unfairness by preventing gradient misalignment in DPSGD.

Nonlinear independent component analysis (ICA) aims to recover the underlying independent latent sources from their observable nonlinear mixtures. How to make the nonlinear ICA model identifiable up to certain trivial indeterminacies is a long-standing problem in unsupervised learning. Recent breakthroughs reformulate the standard independence assumption of sources as conditional independence given some auxiliary variables (e.g., class labels and/or domain/time indexes) as weak supervision or inductive bias. However, nonlinear ICA with unconditional priors cannot benefit from such developments. We explore an alternative path and consider only assumptions on the mixing process, such as Structural Sparsity or Independent Influences. We show that under specific instantiations of such constraints, the independent latent sources can be identified from their nonlinear mixtures up to a permutation and a component-wise transformation, thus achieving nontrivial identifiability of nonlinear ICA without auxiliary variables. We provide estimation methods and validate the theoretical results experimentally. The results on image data suggest that our conditions may hold in a number of practical data generating processes.

Many methods for performing multi-objective optimisation of computationally expensive problems have been proposed recently. Typically, a probabilistic surrogate for each objective is constructed from an initial dataset. The surrogates can then be used to produce predictive densities in the objective space for any solution. Using the predictive densities, we can compute the expected hypervolume improvement (EHVI) due to a solution. Maximising the EHVI, we can locate the most promising solution that may be expensively evaluated next. There are closed-form expressions for computing the EHVI, integrating over the multivariate predictive densities. However, they require partitioning the objective space, which can be prohibitively expensive for more than three objectives. Furthermore, there are no closed-form expressions for a problem where the predictive densities are dependent, capturing the correlations between objectives. Monte Carlo approximation is used instead in such cases, which is not cheap. Hence, the need to develop new accurate but cheaper approximation methods remains. Here we investigate an alternative approach toward approximating the EHVI using Gauss-Hermite quadrature. We show that it can be an accurate alternative to Monte Carlo for both independent and correlated predictive densities with statistically significant rank correlations for a range of popular test problems.

We study the problem of \emph{classifier derandomization} in machine learning: given a stochastic binary classifier $f: X \to [0,1]$, sample a deterministic classifier $\hat{f}: X \to \{0,1\}$ that approximates the output of $f$ in aggregate over any data distribution. Recent work revealed how to efficiently derandomize a stochastic classifier with strong output approximation guarantees, but at the cost of individual fairness -- that is, if $f$ treated similar inputs similarly, $\hat{f}$ did not. In this paper, we initiate a systematic study of classifier derandomization with metric fairness guarantees. We show that the prior derandomization approach is almost maximally metric-unfair, and that a simple ``random threshold'' derandomization achieves optimal fairness preservation but with weaker output approximation. We then devise a derandomization procedure that provides an appealing tradeoff between these two: if $f$ is $\alpha$-metric fair according to a metric $d$ with a locality-sensitive hash (LSH) family, then our derandomized $\hat{f}$ is, with high probability, $O(\alpha)$-metric fair and a close approximation of $f$. We also prove generic results applicable to all (fair and unfair) classifier derandomization procedures, including a bias-variance decomposition and reductions between various notions of metric fairness.

Transformer-based architectures have become competitive across a variety of visual domains, most notably images and videos. While prior work has studied these modalities in isolation, having a common architecture suggests that one can train a single unified model for multiple visual modalities. Prior attempts at unified modeling typically use architectures tailored for vision tasks, or obtain worse performance compared to single modality models. In this work, we show that masked autoencoding can be used to train a simple Vision Transformer on images and videos, without requiring any labeled data. This single model learns visual representations that are comparable to or better than single-modality representations on both image and video benchmarks, while using a much simpler architecture. In particular, our single pretrained model can be finetuned to achieve 86.5% on ImageNet and 75.3% on the challenging Something Something-v2 video benchmark. Furthermore, this model can be learned by dropping 90% of the image and 95% of the video patches, enabling extremely fast training.

Existing GAN inversion and editing methods work well for aligned objects with a clean background, such as portraits and animal faces, but often struggle for more difficult categories with complex scene layouts and object occlusions, such as cars, animals, and outdoor images. We propose a new method to invert and edit such complex images in the latent space of GANs, such as StyleGAN2. Our key idea is to explore inversion with a collection of layers, spatially adapting the inversion process to the difficulty of the image. We learn to predict the "invertibility" of different image segments and project each segment into a latent layer. Easier regions can be inverted into an earlier layer in the generator's latent space, while more challenging regions can be inverted into a later feature space. Experiments show that our method obtains better inversion results compared to the recent approaches on complex categories, while maintaining downstream editability. Please refer to our project page at https://www.cs.cmu.edu/~SAMInversion.

In scientometrics, scientific collaboration is often analyzed by means of co-authorships. An aspect which is often overlooked and more difficult to quantify is the flow of expertise between authors from different research topics, which is an important part of scientific progress. With the Topic Flow Network (TFN) we propose a graph structure for the analysis of research topic flows between scientific authors and their respective research fields. Based on a multi-graph and a topic model, our proposed network structure accounts for intratopic as well as intertopic flows. Our method requires for the construction of a TFN solely a corpus of publications (i.e., author and abstract information). From this, research topics are discovered automatically through non-negative matrix factorization. The thereof derived TFN allows for the application of social network analysis techniques, such as common metrics and community detection. Most importantly, it allows for the analysis of intertopic flows on a large, macroscopic scale, i.e., between research topic, as well as on a microscopic scale, i.e., between certain sets of authors. We demonstrate the utility of TFNs by applying our method to two comprehensive corpora of altogether 20 Mio. publications spanning more than 60 years of research in the fields computer science and mathematics. Our results give evidence that TFNs are suitable, e.g., for the analysis of topical communities, the discovery of important authors in different fields, and, most notably, the analysis of intertopic flows, i.e., the transfer of topical expertise. Besides that, our method opens new directions for future research, such as the investigation of influence relationships between research fields.

Atomistic simulations of the molecular dynamics/statics kind are regularly used to study small scale plasticity. Contemporary simulations are performed with tens to hundreds of millions of atoms, with snapshots of these configurations written out at regular intervals for further analysis. Continuum scale constitutive models for material behavior can benefit from information on the atomic scale, in particular in terms of the deformation mechanisms, the accommodation of the total strain and partitioning of stress and strain fields in individual grains. In this work we develop a methodology using statistical data mining and machine learning algorithms to automate the analysis of continuum field variables in atomistic simulations. We focus on three important field variables: total strain, elastic strain and microrotation. Our results show that the elastic strain in individual grains exhibits a unimodal log-normal distribution, whilst the total strain and microrotation fields evidence a multimodal distribution. The peaks in the distribution of total strain are identified with a Gaussian mixture model and methods to circumvent overfitting problems are presented. Subsequently, we evaluate the identified peaks in terms of deformation mechanisms in a grain, which e.g., helps to quantify the strain for which individual deformation mechanisms are responsible. The overall statistics of the distributions over all grains are an important input for higher scale models, which ultimately also helps to be able to quantitatively discuss the implications for information transfer to phenomenological models.

We investigate the problems and challenges of evaluating the robustness of Differential Equation-based (DE) networks against synthetic distribution shifts. We propose a novel and simple accuracy metric which can be used to evaluate intrinsic robustness and to validate dataset corruption simulators. We also propose methodology recommendations, destined for evaluating the many faces of neural DEs' robustness and for comparing them with their discrete counterparts rigorously. We then use this criteria to evaluate a cheap data augmentation technique as a reliable way for demonstrating the natural robustness of neural ODEs against simulated image corruptions across multiple datasets.

Graph Neural Networks (GNN) show great promise in problems dealing with graph-structured data. One of the unique points of GNNs is their flexibility to adapt to multiple problems, which not only leads to wide applicability, but also poses important challenges when finding the best model or acceleration technique for a particular problem. An example of such challenges resides in the fact that the accuracy or effectiveness of a GNN model or acceleration technique generally depends on the structure of the underlying graph. In this paper, in an attempt to address the problem of graph-dependent acceleration, we propose ProGNNosis, a data-driven model that can predict the GNN training time of a given GNN model running over a graph of arbitrary characteristics by inspecting the input graph metrics. Such prediction is made based on a regression that was previously trained offline using a diverse synthetic graph dataset. In practice, our method allows making informed decisions on which design to use for a specific problem. In the paper, the methodology to build ProGNNosis is defined and applied for a specific use case, where it helps to decide which graph representation is better. Our results show that ProGNNosis helps achieve an average speedup of 1.22X over randomly selecting a graph representation in multiple widely used GNN models such as GCN, GIN, GAT, or GraphSAGE.

We propose an end-to-end empathetic dialogue speech synthesis (DSS) model that considers both the linguistic and prosodic contexts of dialogue history. Empathy is the active attempt by humans to get inside the interlocutor in dialogue, and empathetic DSS is a technology to implement this act in spoken dialogue systems. Our model is conditioned by the history of linguistic and prosody features for predicting appropriate dialogue context. As such, it can be regarded as an extension of the conventional linguistic-feature-based dialogue history modeling. To train the empathetic DSS model effectively, we investigate 1) a self-supervised learning model pretrained with large speech corpora, 2) a style-guided training using a prosody embedding of the current utterance to be predicted by the dialogue context embedding, 3) a cross-modal attention to combine text and speech modalities, and 4) a sentence-wise embedding to achieve fine-grained prosody modeling rather than utterance-wise modeling. The evaluation results demonstrate that 1) simply considering prosodic contexts of the dialogue history does not improve the quality of speech in empathetic DSS and 2) introducing style-guided training and sentence-wise embedding modeling achieves higher speech quality than that by the conventional method.

Differentially private (DP) stochastic convex optimization (SCO) is ubiquitous in trustworthy machine learning algorithm design. This paper studies the DP-SCO problem with streaming data sampled from a distribution and arrives sequentially. We also consider the continual release model where parameters related to private information are updated and released upon each new data, often known as the online algorithms. Despite that numerous algorithms have been developed to achieve the optimal excess risks in different $\ell_p$ norm geometries, yet none of the existing ones can be adapted to the streaming and continual release setting. To address such a challenge as the online convex optimization with privacy protection, we propose a private variant of online Frank-Wolfe algorithm with recursive gradients for variance reduction to update and reveal the parameters upon each data. Combined with the adaptive differential privacy analysis, our online algorithm achieves in linear time the optimal excess risk when $1<p\leq 2$ and the state-of-the-art excess risk meeting the non-private lower ones when $2<p\leq\infty$. Our algorithm can also be extended to the case $p=1$ to achieve nearly dimension-independent excess risk. While previous variance reduction results on recursive gradient have theoretical guarantee only in the independent and identically distributed sample setting, we establish such a guarantee in a non-stationary setting. To demonstrate the virtues of our method, we design the first DP algorithm for high-dimensional generalized linear bandits with logarithmic regret. Comparative experiments with a variety of DP-SCO and DP-Bandit algorithms exhibit the efficacy and utility of the proposed algorithms.

Accurate and efficient prediction of the molecular properties of drugs is one of the fundamental problems in drug research and development. Recent advancements in representation learning have been shown to greatly improve the performance of molecular property prediction. However, due to limited labeled data, supervised learning-based molecular representation algorithms can only search limited chemical space, which results in poor generalizability. In this work, we proposed a self-supervised representation learning framework for large-scale unlabeled molecules. We developed a novel molecular graph augmentation strategy, referred to as attention-wise graph mask, to generate challenging positive sample for contrastive learning. We adopted the graph attention network (GAT) as the molecular graph encoder, and leveraged the learned attention scores as masking guidance to generate molecular augmentation graphs. By minimization of the contrastive loss between original graph and masked graph, our model can capture important molecular structure and higher-order semantic information. Extensive experiments showed that our attention-wise graph mask contrastive learning exhibit state-of-the-art performance in a couple of downstream molecular property prediction tasks.

We present BYOL-Explore, a conceptually simple yet general approach for curiosity-driven exploration in visually-complex environments. BYOL-Explore learns a world representation, the world dynamics, and an exploration policy all-together by optimizing a single prediction loss in the latent space with no additional auxiliary objective. We show that BYOL-Explore is effective in DM-HARD-8, a challenging partially-observable continuous-action hard-exploration benchmark with visually-rich 3-D environments. On this benchmark, we solve the majority of the tasks purely through augmenting the extrinsic reward with BYOL-Explore s intrinsic reward, whereas prior work could only get off the ground with human demonstrations. As further evidence of the generality of BYOL-Explore, we show that it achieves superhuman performance on the ten hardest exploration games in Atari while having a much simpler design than other competitive agents.

We introduce a new training paradigm that enforces interval constraints on neural network parameter space to control forgetting. Contemporary Continual Learning (CL) methods focus on training neural networks efficiently from a stream of data, while reducing the negative impact of catastrophic forgetting, yet they do not provide any firm guarantees that network performance will not deteriorate uncontrollably over time. In this work, we show how to put bounds on forgetting by reformulating continual learning of a model as a continual contraction of its parameter space. To that end, we propose Hyperrectangle Training, a new training methodology where each task is represented by a hyperrectangle in the parameter space, fully contained in the hyperrectangles of the previous tasks. This formulation reduces the NP-hard CL problem back to polynomial time while providing full resilience against forgetting. We validate our claim by developing InterContiNet (Interval Continual Learning) algorithm which leverages interval arithmetic to effectively model parameter regions as hyperrectangles. Through experimental results, we show that our approach performs well in a continual learning setup without storing data from previous tasks.

We propose to utilize gradients for detecting adversarial and out-of-distribution samples. We introduce confounding labels -- labels that differ from normal labels seen during training -- in gradient generation to probe the effective expressivity of neural networks. Gradients depict the amount of change required for a model to properly represent given inputs, providing insight into the representational power of the model established by network architectural properties as well as training data. By introducing a label of different design, we remove the dependency on ground truth labels for gradient generation during inference. We show that our gradient-based approach allows for capturing the anomaly in inputs based on the effective expressivity of the models with no hyperparameter tuning or additional processing, and outperforms state-of-the-art methods for adversarial and out-of-distribution detection.

Effective communication requires adapting to the idiosyncratic common ground shared with each communicative partner. We study a particularly challenging instantiation of this problem: the popular game Dixit. We formulate a round of Dixit as a multi-agent image reference game where a (trained) speaker model is rewarded for describing a target image such that one (pretrained) listener model can correctly identify it from a pool of distractors, but another listener cannot. To adapt to this setting, the speaker must exploit differences in the common ground it shares with the different listeners. We show that finetuning an attention-based adapter between a CLIP vision encoder and a large language model in this contrastive, multi-agent setting gives rise to context-dependent natural language specialization from rewards only, without direct supervision. In a series of controlled experiments, we show that the speaker can adapt according to the idiosyncratic strengths and weaknesses of various pairs of different listeners. Furthermore, we show zero-shot transfer of the speaker's specialization to unseen real-world data. Our experiments offer a step towards adaptive communication in complex multi-partner settings and highlight the interesting research challenges posed by games like Dixit. We hope that our work will inspire creative new approaches to adapting pretrained models.

Approximate Nearest Neighbor Search (ANNS) in high dimensional spaces is crucial for many real-life applications (e.g., e-commerce, web, multimedia, etc.) dealing with an abundance of data. In this paper, we propose an end-to-end learning framework that couples the partitioning (one key step of ANNS) and learning-to-search steps using a custom loss function. A key advantage of our proposed solution is that it does not require any expensive pre-processing of the dataset, which is one of the key limitations of the state-of-the-art approach. We achieve the above edge by formulating a multi-objective custom loss function that does not need ground truth labels to quantify the quality of a given partition of the data space, making it entirely unsupervised. We also propose an ensembling technique by adding varying input weights to the loss function to train an ensemble of models to enhance the search quality. On several standard benchmarks for ANNS, we show that our method beats the state-of-the-art space partitioning method and the ubiquitous K-means clustering method while using fewer parameters and shorter offline training times. Without loss of generality, our unsupervised partitioning approach is shown as a promising alternative to many widely used clustering methods like K-means clustering and DBSCAN.

Source code repositories consist of large codebases, often containing error-prone programs. The increasing complexity of software has led to a drastic rise in time and costs for identifying and fixing these defects. Various methods exist to automatically generate fixes for buggy code. However, due to the large combinatorial space of possible solutions for a particular bug, there are not many tools and datasets available to evaluate generated code effectively. In this work, we introduce FixEval, a benchmark comprising buggy code submissions to competitive programming problems and their respective fixes. We introduce a rich test suite to evaluate and assess the correctness of model-generated program fixes. We consider two Transformer language models pretrained on programming languages as our baselines, and compare them using match-based and execution-based evaluation metrics. Our experiments show that match-based metrics do not reflect model-generated program fixes accurately, while execution-based methods evaluate programs through all cases and scenarios specifically designed for that solution. Therefore, we believe FixEval provides a step towards real-world automatic bug fixing and model-generated code evaluation.

We consider the problem of producing fair probabilistic classifiers for multi-class classification tasks. We formulate this problem in terms of "projecting" a pre-trained (and potentially unfair) classifier onto the set of models that satisfy target group-fairness requirements. The new, projected model is given by post-processing the outputs of the pre-trained classifier by a multiplicative factor. We provide a parallelizable iterative algorithm for computing the projected classifier and derive both sample complexity and convergence guarantees. Comprehensive numerical comparisons with state-of-the-art benchmarks demonstrate that our approach maintains competitive performance in terms of accuracy-fairness trade-off curves, while achieving favorable runtime on large datasets. We also evaluate our method at scale on an open dataset with multiple classes, multiple intersectional protected groups, and over 1M samples.

Performing low-rank matrix completion with sensitive user data calls for privacy-preserving approaches. In this work, we propose a novel noise addition mechanism for preserving differential privacy where the noise distribution is inspired by Huber loss, a well-known loss function in robust statistics. The proposed Huber mechanism is evaluated against existing differential privacy mechanisms while solving the matrix completion problem using the Alternating Least Squares approach. We also propose using the Iteratively Re-Weighted Least Squares algorithm to complete low-rank matrices and study the performance of different noise mechanisms in both synthetic and real datasets. We prove that the proposed mechanism achieves {\epsilon}-differential privacy similar to the Laplace mechanism. Furthermore, empirical results indicate that the Huber mechanism outperforms Laplacian and Gaussian in some cases and is comparable, otherwise.

Graph embedding techniques are a staple of modern graph learning research. When using embeddings for downstream tasks such as classification, information about their stability and robustness, i.e., their susceptibility to sources of noise, stochastic effects, or specific parameter choices, becomes increasingly important. As one of the most prominent graph embedding schemes, we focus on node2vec and analyse its embedding quality from multiple perspectives. Our findings indicate that embedding quality is unstable with respect to parameter choices, and we propose strategies to remedy this in practice.

The large computing and memory cost of deep neural networks (DNNs) often precludes their use in resource-constrained devices. Quantizing the parameters and operations to lower bit-precision offers substantial memory and energy savings for neural network inference, facilitating the use of DNNs on edge computing platforms. Recent efforts at quantizing DNNs have employed a range of techniques encompassing progressive quantization, step-size adaptation, and gradient scaling. This paper proposes a new quantization approach for mixed precision convolutional neural networks (CNNs) targeting edge-computing. Our method establishes a new pareto frontier in model accuracy and memory footprint demonstrating a range of quantized models, delivering best-in-class accuracy below 4.3 MB of weights (wgts.) and activations (acts.). Our main contributions are: (i) hardware-aware heterogeneous differentiable quantization with tensor-sliced learned precision, (ii) targeted gradient modification for wgts. and acts. to mitigate quantization errors, and (iii) a multi-phase learning schedule to address instability in learning arising from updates to the learned quantizer and model parameters. We demonstrate the effectiveness of our techniques on the ImageNet dataset across a range of models including EfficientNet-Lite0 (e.g., 4.14MB of wgts. and acts. at 67.66% accuracy) and MobileNetV2 (e.g., 3.51MB wgts. and acts. at 65.39% accuracy).

Federated Learning (FL) is a promising framework for distributed learning when data is private and sensitive. However, the state-of-the-art solutions in this framework are not optimal when data is heterogeneous and non-Independent and Identically Distributed (non-IID). We propose a practical and robust approach to personalization in FL that adjusts to heterogeneous and non-IID data by balancing exploration and exploitation of several global models. To achieve our aim of personalization, we use a Mixture of Experts (MoE) that learns to group clients that are similar to each other, while using the global models more efficiently. We show that our approach achieves an accuracy up to 29.78 % and up to 4.38 % better compared to a local model in a pathological non-IID setting, even though we tune our approach in the IID setting.

Ensemble models (bagging and gradient-boosting) of relational decision trees have proved to be one of the most effective learning methods in the area of probabilistic logic models (PLMs). While effective, they lose one of the most important aspect of PLMs -- interpretability. In this paper we consider the problem of compressing a large set of learned trees into a single explainable model. To this effect, we propose CoTE -- Compression of Tree Ensembles -- that produces a single small decision list as a compressed representation. CoTE first converts the trees to decision lists and then performs the combination and compression with the aid of the original training set. An experimental evaluation demonstrates the effectiveness of CoTE in several benchmark relational data sets.

Bayesian Optimization (BO) has shown great promise for the global optimization of functions that are expensive to evaluate, but despite many successes, standard approaches can struggle in high dimensions. To improve the performance of BO, prior work suggested incorporating gradient information into a Gaussian process surrogate of the objective, giving rise to kernel matrices of size $nd \times nd$ for $n$ observations in $d$ dimensions. Na\"ively multiplying with (resp. inverting) these matrices requires $\mathcal{O}(n^2d^2)$ (resp. $\mathcal{O}(n^3d^3$)) operations, which becomes infeasible for moderate dimensions and sample sizes. Here, we observe that a wide range of kernels gives rise to structured matrices, enabling an exact $\mathcal{O}(n^2d)$ matrix-vector multiply for gradient observations and $\mathcal{O}(n^2d^2)$ for Hessian observations. Beyond canonical kernel classes, we derive a programmatic approach to leveraging this type of structure for transformations and combinations of the discussed kernel classes, which constitutes a structure-aware automatic differentiation algorithm. Our methods apply to virtually all canonical kernels and automatically extend to complex kernels, like the neural network, radial basis function network, and spectral mixture kernels without any additional derivations, enabling flexible, problem-dependent modeling while scaling first-order BO to high $d$.

We report on aggressive quantization strategies that greatly accelerate inference of Recurrent Neural Network Transducers (RNN-T). We use a 4 bit integer representation for both weights and activations and apply Quantization Aware Training (QAT) to retrain the full model (acoustic encoder and language model) and achieve near-iso-accuracy. We show that customized quantization schemes that are tailored to the local properties of the network are essential to achieve good performance while limiting the computational overhead of QAT. Density ratio Language Model fusion has shown remarkable accuracy gains on RNN-T workloads but it severely increases the computational cost of inference. We show that our quantization strategies enable using large beam widths for hypothesis search while achieving streaming-compatible runtimes and a full model compression ratio of 7.6$\times$ compared to the full precision model. Via hardware simulations, we estimate a 3.4$\times$ acceleration from FP16 to INT4 for the end-to-end quantized RNN-T inclusive of LM fusion, resulting in a Real Time Factor (RTF) of 0.06. On the NIST Hub5 2000, Hub5 2001, and RT-03 test sets, we retain most of the gains associated with LM fusion, improving the average WER by $>$1.5%.

Neural networks (NNs) are known to be vulnerable against adversarial perturbations, and thus there is a line of work aiming to provide robustness certification for NNs, such as randomized smoothing, which samples smoothing noises from a certain distribution to certify the robustness for a smoothed classifier. However, as previous work shows, the certified robust radius in randomized smoothing suffers from scaling to large datasets ("curse of dimensionality"). To overcome this hurdle, we propose a Double Sampling Randomized Smoothing (DSRS) framework, which exploits the sampled probability from an additional smoothing distribution to tighten the robustness certification of the previous smoothed classifier. Theoretically, under mild assumptions, we prove that DSRS can certify $\Theta(\sqrt d)$ robust radius under $\ell_2$ norm where $d$ is the input dimension, which implies that DSRS may be able to break the curse of dimensionality of randomized smoothing. We instantiate DSRS for a generalized family of Gaussian smoothing and propose an efficient and sound computing method based on customized dual optimization considering sampling error. Extensive experiments on MNIST, CIFAR-10, and ImageNet verify our theory and show that DSRS certifies larger robust radii than existing baselines consistently under different settings. Code is available at https://github.com/llylly/DSRS.

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a collection of graph representation learning benchmarks, it is currently not well understood what aspects of a given model are probed by them. For example, to what extent do they test the ability of a model to leverage graph structure vs. node features? Here, we develop a principled approach to taxonomize benchmarking datasets according to a $\textit{sensitivity profile}$ that is based on how much GNN performance changes due to a collection of graph perturbations. Our data-driven analysis provides a deeper understanding of which benchmarking data characteristics are leveraged by GNNs. Consequently, our taxonomy can aid in selection and development of adequate graph benchmarks, and better informed evaluation of future GNN methods. Finally, our approach and implementation in $\texttt{GTaxoGym}$ package are extendable to multiple graph prediction task types and future datasets.

Consider the problem setting of Interaction-Grounded Learning (IGL), in which a learner's goal is to optimally interact with the environment with no explicit reward to ground its policies. The agent observes a context vector, takes an action, and receives a feedback vector, using this information to effectively optimize a policy with respect to a latent reward function. Prior analyzed approaches fail when the feedback vector contains the action, which significantly limits IGL's success in many potential scenarios such as Brain-computer interface (BCI) or Human-computer interface (HCI) applications. We address this by creating an algorithm and analysis which allows IGL to work even when the feedback vector contains the action, encoded in any fashion. We provide theoretical guarantees and large-scale experiments based on supervised datasets to demonstrate the effectiveness of the new approach.

We introduce an algorithm for active function approximation based on nearest neighbor regression. Our Active Nearest Neighbor Regressor (ANNR) relies on the Voronoi-Delaunay framework from computational geometry to subdivide the space into cells with constant estimated function value and select novel query points in a way that takes the geometry of the function graph into account. We consider the recent state-of-the-art active function approximator called DEFER, which is based on incremental rectangular partitioning of the space, as the main baseline. The ANNR addresses a number of limitations that arise from the space subdivision strategy used in DEFER. We provide a computationally efficient implementation of our method, as well as theoretical halting guarantees. Empirical results show that ANNR outperforms the baseline for both closed-form functions and real-world examples, such as gravitational wave parameter inference and exploration of the latent space of a generative model.

Adversarial attacks in deep learning models, especially for safety-critical systems, are gaining more and more attention in recent years, due to the lack of trust in the security and robustness of AI models. Yet the more primitive adversarial attacks might be physically infeasible or require some resources that are hard to access like the training data, which motivated the emergence of patch attacks. In this survey, we provide a comprehensive overview to cover existing techniques of adversarial patch attacks, aiming to help interested researchers quickly catch up with the progress in this field. We also discuss existing techniques for developing detection and defences against adversarial patches, aiming to help the community better understand this field and its applications in the real world.

Deep neural networks (DNNs) for image classification are known to be vulnerable to adversarial examples. And, the adversarial examples have transferability, which means an adversarial example for a DNN model can fool another black-box model with a non-trivial probability. This gave birth of the transfer-based adversarial attack where the adversarial examples generated by a pretrained or known model (called surrogate model) are used to conduct black-box attack. There are some work on how to generate the adversarial examples from a given surrogate model to achieve better transferability. However, training a special surrogate model to generate adversarial examples with better transferability is relatively under-explored. In this paper, we propose a method of training a surrogate model with abundant dark knowledge to boost the adversarial transferability of the adversarial examples generated by the surrogate model. This trained surrogate model is named dark surrogate model (DSM), and the proposed method to train DSM consists of two key components: a teacher model extracting dark knowledge and providing soft labels, and the mixing augmentation skill which enhances the dark knowledge of training data. Extensive experiments have been conducted to show that the proposed method can substantially improve the adversarial transferability of surrogate model across different architectures of surrogate model and optimizers for generating adversarial examples. We also show that the proposed method can be applied to other scenarios of transfer-based attack that contain dark knowledge, like face verification.

We propose a new Bayesian nonparametric prior for latent feature models, which we call the convergent Indian buffet process (CIBP). We show that under the CIBP, the number of latent features is distributed as a Poisson distribution with the mean monotonically increasing but converging to a certain value as the number of objects goes to infinity. That is, the expected number of features is bounded above even when the number of objects goes to infinity, unlike the standard Indian buffet process under which the expected number of features increases with the number of objects. We provide two alternative representations of the CIBP based on a hierarchical distribution and a completely random measure, respectively, which are of independent interest. The proposed CIBP is assessed on a high-dimensional sparse factor model.

A digital twin is a computer model that represents an individual, for example, a component, a patient or a process. In many situations, we want to gain knowledge about an individual from its data while incorporating imperfect physical knowledge and also learn from data from other individuals. In this paper, we introduce and demonstrate a fully Bayesian methodology for learning between digital twins in a setting where the physical parameters of each individual are of interest. For each individual, the methodology is based on Bayesian calibration with model discrepancy. Through the discrepancy, modelled as a Gaussian process, the imperfect low-fidelity physical model is accounted for. Using ideas from Bayesian hierarchical models, a joint probabilistic model of digital twins is constructed by connecting them through a new level in the hierarchy. For the physical parameters, the methodology can be seen as using a prior distribution in the individual model that is the posterior of the corresponding hyperparameter in the joint model. For learning the imperfect physics between individuals two approaches are introduced, one that assumes the same discrepancy for all individuals and one that can be seen as using a prior learned from all individuals for the parameters of the Gaussian processes representing the discrepancies. Based on recent advances related to physics-informed priors, Hamiltonian Monte Carlo methods and using these for inverse problems we set up an inference methodology that allows our approach to be computational feasible also for physical models based on partial differential equations and individual data that are not aligned. The methodology is demonstrated in two synthetic case studies, a toy example previously used in the literature extended to more individuals and an example based on a cardiovascular differential equation model relevant for the treatment of hypertension.

The emergence of neural networks has revolutionized the field of motion synthesis. Yet, learning to unconditionally synthesize motions from a given distribution remains a challenging task, especially when the motions are highly diverse. We present MoDi, an unconditional generative model that synthesizes diverse motions. Our model is trained in a completely unsupervised setting from a diverse, unstructured and unlabeled motion dataset and yields a well-behaved, highly semantic latent space. The design of our model follows the prolific architecture of StyleGAN and adapts two of its key technical components into the motion domain: a set of style-codes injected into each level of the generator hierarchy and a mapping function that learns and forms a disentangled latent space. We show that despite the lack of any structure in the dataset, the latent space can be semantically clustered, and facilitates semantic editing and motion interpolation. In addition, we propose a technique to invert unseen motions into the latent space, and demonstrate latent-based motion editing operations that otherwise cannot be achieved by naive manipulation of explicit motion representations. Our qualitative and quantitative experiments show that our framework achieves state-of-the-art synthesis quality that can follow the distribution of highly diverse motion datasets. Code and trained models will be released at https://sigal-raab.github.io/MoDi.

Bottleneck identification is a challenging task in network analysis, especially when the network is not fully specified. To address this task, we develop a unified online learning framework based on combinatorial semi-bandits that performs bottleneck identification alongside learning the specifications of the underlying network. Within this framework, we adapt and investigate several combinatorial semi-bandit methods such as epsilon-greedy, LinUCB, BayesUCB, and Thompson Sampling. Our framework is able to employ contextual information in the form of contextual bandits. We evaluate our framework on the real-world application of road networks and demonstrate its effectiveness in different settings.

Alice (owner) has knowledge of the underlying quality of her items measured in grades. Given the noisy grades provided by an independent party, can Bob (appraiser) obtain accurate estimates of the ground-truth grades of the items by asking Alice a question about the grades? We address this when the payoff to Alice is additive convex utility over all her items. We establish that if Alice has to truthfully answer the question so that her payoff is maximized, the question must be formulated as pairwise comparisons between her items. Next, we prove that if Alice is required to provide a ranking of her items, which is the most fine-grained question via pairwise comparisons, she would be truthful. By incorporating the ground-truth ranking, we show that Bob can obtain an estimator with the optimal squared error in certain regimes based on any possible way of truthful information elicitation. Moreover, the estimated grades are substantially more accurate than the raw grades when the number of items is large and the raw grades are very noisy. Finally, we conclude the paper with several extensions and some refinements for practical considerations.

Collaborative inference has received significant research interest in machine learning as a vehicle for distributing computation load, reducing latency, as well as addressing privacy preservation in communications. Recent collaborative inference frameworks have adopted dynamic inference methodologies such as early-exit and run-time partitioning of neural networks. However, as machine learning frameworks scale in the number of inference inputs, e.g., in surveillance applications, fault tolerance related to device failure needs to be considered. This paper presents the Edge-PRUNE distributed computing framework, built on a formally defined model of computation, which provides a flexible infrastructure for fault tolerant collaborative inference. The experimental section of this work shows results on achievable inference time savings by collaborative inference, presents fault tolerant system topologies and analyzes their cost in terms of execution time overhead.

Several recent empirical studies demonstrate that important machine learning tasks, e.g., training deep neural networks, exhibit low-rank structure, where the loss function varies significantly in only a few directions of the input space. In this paper, we leverage such low-rank structure to reduce the high computational cost of canonical gradient-based methods such as gradient descent (GD). Our proposed \emph{Low-Rank Gradient Descent} (LRGD) algorithm finds an $\epsilon$-approximate stationary point of a $p$-dimensional function by first identifying $r \leq p$ significant directions, and then estimating the true $p$-dimensional gradient at every iteration by computing directional derivatives only along those $r$ directions. We establish that the "directional oracle complexities" of LRGD for strongly convex and non-convex objective functions are $\mathcal{O}(r \log(1/\epsilon) + rp)$ and $\mathcal{O}(r/\epsilon^2 + rp)$, respectively. When $r \ll p$, these complexities are smaller than the known complexities of $\mathcal{O}(p \log(1/\epsilon))$ and $\mathcal{O}(p/\epsilon^2)$ of {\gd} in the strongly convex and non-convex settings, respectively. Thus, LRGD significantly reduces the computational cost of gradient-based methods for sufficiently low-rank functions. In the course of our analysis, we also formally define and characterize the classes of exact and approximately low-rank functions.

Advances in machine learning have enabled the prediction of immune system responses to prophylactic and therapeutic vaccines. However, the engineering task of designing vaccines remains a challenge. In particular, the genetic variability of the human immune system makes it difficult to design peptide vaccines that provide widespread immunity in vaccinated populations. We introduce a framework for evaluating and designing peptide vaccines that uses probabilistic machine learning models, and demonstrate its ability to produce designs for a SARS-CoV-2 vaccine that outperform previous designs. We provide a theoretical analysis of the approximability, scalability, and complexity of our framework.

We study the asynchronous stochastic gradient descent algorithm for distributed training over $n$ workers which have varying computation and communication frequency over time. In this algorithm, workers compute stochastic gradients in parallel at their own pace and return those to the server without any synchronization. Existing convergence rates of this algorithm for non-convex smooth objectives depend on the maximum gradient delay $\tau_{\max}$ and show that an $\epsilon$-stationary point is reached after $\mathcal{O}\!\left(\sigma^2\epsilon^{-2}+ \tau_{\max}\epsilon^{-1}\right)$ iterations, where $\sigma$ denotes the variance of stochastic gradients. In this work (i) we obtain a tighter convergence rate of $\mathcal{O}\!\left(\sigma^2\epsilon^{-2}+ \sqrt{\tau_{\max}\tau_{avg}}\epsilon^{-1}\right)$ without any change in the algorithm where $\tau_{avg}$ is the average delay, which can be significantly smaller than $\tau_{\max}$. We also provide (ii) a simple delay-adaptive learning rate scheme, under which asynchronous SGD achieves a convergence rate of $\mathcal{O}\!\left(\sigma^2\epsilon^{-2}+ \tau_{avg}\epsilon^{-1}\right)$, and does not require any extra hyperparameter tuning nor extra communications. Our result allows to show for the first time that asynchronous SGD is always faster than mini-batch SGD. In addition, (iii) we consider the case of heterogeneous functions motivated by federated learning applications and improve the convergence rate by proving a weaker dependence on the maximum delay compared to prior works. In particular, we show that the heterogeneity term in convergence rate is only affected by the average delay within each worker.

In problems involving matrix computations, the concept of leverage has found a large number of applications. In particular, leverage scores, which relate the columns of a matrix to the subspaces spanned by its leading singular vectors, are helpful in revealing column subsets to approximately factorize a matrix with quality guarantees. As such, they provide a solid foundation for a variety of machine-learning methods. In this paper we extend the definition of leverage scores to relate the columns of a matrix to arbitrary subsets of singular vectors. We establish a precise connection between column and singular-vector subsets, by relating the concepts of leverage scores and principal angles between subspaces. We employ this result to design approximation algorithms with provable guarantees for two well-known problems: generalized column subset selection and sparse canonical correlation analysis. We run numerical experiments to provide further insight on the proposed methods. The novel bounds we derive improve our understanding of fundamental concepts in matrix approximations. In addition, our insights may serve as building blocks for further contributions.

Adapting to a continuously evolving environment is a safety-critical challenge inevitably faced by all autonomous driving systems. Existing image and video driving datasets, however, fall short of capturing the mutable nature of the real world. In this paper, we introduce the largest multi-task synthetic dataset for autonomous driving, SHIFT. It presents discrete and continuous shifts in cloudiness, rain and fog intensity, time of day, and vehicle and pedestrian density. Featuring a comprehensive sensor suite and annotations for several mainstream perception tasks, SHIFT allows investigating the degradation of a perception system performance at increasing levels of domain shift, fostering the development of continuous adaptation strategies to mitigate this problem and assess model robustness and generality. Our dataset and benchmark toolkit are publicly available at www.vis.xyz/shift.

The aetiology of head and neck squamous cell carcinoma (HNSCC) involves multiple carcinogens such as alcohol, tobacco and infection with human papillomavirus (HPV). As the HPV infection influences the prognosis, treatment and survival of patients with HNSCC, it is important to determine the HPV status of these tumours. In this paper, we propose a novel triplet-ranking loss function and a multiple instance learning pipeline for HPV status prediction. This achieves a new state-of-the-art performance in HPV detection using only the routine H&E stained WSIs on two HNSCC cohorts. Furthermore, a comprehensive tumour microenvironment profiling was performed, which characterised the unique patterns between HPV+/- HNSCC from genomic, immunology and cellular perspectives. Positive correlations of the proposed score with different subtypes of T cells (e.g. T cells follicular helper, CD8+ T cells), and negative correlations with macrophages and connective cells (e.g. fibroblast) were identified, which is in line with clinical findings. Unique gene expression profiles were also identified with respect to HPV infection status, and is in line with existing findings.

Neuroscientists and neuroengineers have long relied on multielectrode neural recordings to study the brain. However, in a typical experiment, many factors corrupt neural recordings from individual electrodes, including electrical noise, movement artifacts, and faulty manufacturing. Currently, common practice is to discard these corrupted recordings, reducing already limited data that is difficult to collect. To address this challenge, we propose Deep Neural Imputation (DNI), a framework to recover missing values from electrodes by learning from data collected across spatial locations, days, and participants. We explore our framework with a linear nearest-neighbor approach and two deep generative autoencoders, demonstrating DNI's flexibility. One deep autoencoder models participants individually, while the other extends this architecture to model many participants jointly. We evaluate our models across 12 human participants implanted with multielectrode intracranial electrocorticography arrays; participants had no explicit task and behaved naturally across hundreds of recording hours. We show that DNI recovers not only time series but also frequency content, and further establish DNI's practical value by recovering significant performance on a scientifically-relevant downstream neural decoding task.

This paper describes the principle of "General Cyclical Training" in machine learning, where training starts and ends with "easy training" and the "hard training" happens during the middle epochs. We propose several manifestations for training neural networks, including algorithmic examples (via hyper-parameters and loss functions), data-based examples, and model-based examples. Specifically, we introduce several novel techniques: cyclical weight decay, cyclical batch size, cyclical focal loss, cyclical softmax temperature, cyclical data augmentation, cyclical gradient clipping, and cyclical semi-supervised learning. In addition, we demonstrate that cyclical weight decay, cyclical softmax temperature, and cyclical gradient clipping (as three examples of this principle) are beneficial in the test accuracy performance of a trained model. Furthermore, we discuss model-based examples (such as pretraining and knowledge distillation) from the perspective of general cyclical training and recommend some changes to the typical training methodology. In summary, this paper defines the general cyclical training concept and discusses several specific ways in which this concept can be applied to training neural networks. In the spirit of reproducibility, the code used in our experiments is available at \url{https://github.com/lnsmith54/CFL}.

Investigating active learning, we focus on the relation between the number of labeled examples (budget size), and suitable querying strategies. Our theoretical analysis shows a behavior reminiscent of phase transition: typical examples are best queried when the budget is low, while unrepresentative examples are best queried when the budget is large. Combined evidence shows that a similar phenomenon occurs in common classification models. Accordingly, we propose TypiClust -- a deep active learning strategy suited for low budgets. In a comparative empirical investigation of supervised learning, using a variety of architectures and image datasets, TypiClust outperforms all other active learning strategies in the low-budget regime. Using TypiClust in the semi-supervised framework, performance gets an even more significant boost. In particular, state-of-the-art semi-supervised methods trained on CIFAR-10 with 10 labeled examples selected by TypiClust, reach 93.2% accuracy -- an improvement of 39.4% over random selection. Code is available at https://github.com/avihu111/TypiClust.

Graph neural networks (GNNs) have been widely used in modeling graph structured data, owing to its impressive performance in a wide range of practical applications. Recently, knowledge distillation (KD) for GNNs has enabled remarkable progress in graph model compression and knowledge transfer. However, most of the existing KD methods require a large volume of real data, which are not readily available in practice, and may preclude their applicability in scenarios where the teacher model is trained on rare or hard to acquire datasets. To address this problem, we propose the first end-to-end framework for data-free adversarial knowledge distillation on graph structured data (DFAD-GNN). To be specific, our DFAD-GNN employs a generative adversarial network, which mainly consists of three components: a pre-trained teacher model and a student model are regarded as two discriminators, and a generator is utilized for deriving training graphs to distill knowledge from the teacher model into the student model. Extensive experiments on various benchmark models and six representative datasets demonstrate that our DFAD-GNN significantly surpasses state-of-the-art data-free baselines in the graph classification task.

Detection of the relationship between two time series is so important in environmental and hydrological studies. Several parametric and non-parametric approaches can be applied to detect relationships. These techniques are usually sensitive to stationarity assumptions. In this research, a new copula-based method is introduced to detect the relationship between two cylostationary time series with fractional Brownian motion (fBm) errors. The numerical studies verify the performance of the introduced approach.

Mobile health apps are revolutionizing the healthcare ecosystem by improving communication, efficiency, and quality of service. In low- and middle-income countries, they also play a unique role as a source of information about health outcomes and behaviors of patients and healthcare workers, while providing a suitable channel to deliver both personalized and collective policy interventions. We propose a framework to study user engagement with mobile health, focusing on healthcare workers and digital health apps designed to support them in resource-poor settings. The behavioral logs produced by these apps can be transformed into daily time series characterizing each user's activity. We use probabilistic and survival analysis to build multiple personalized measures of meaningful engagement, which could serve to tailor content and digital interventions suiting each health worker's specific needs. Special attention is given to the problem of detecting churn, understood as a marker of complete disengagement. We discuss the application of our methods to the Indian and Ethiopian users of the Safe Delivery App, a capacity-building tool for skilled birth attendants. This work represents an important step towards a full characterization of user engagement in mobile health applications, which can significantly enhance the abilities of health workers and, ultimately, save lives.

Graph Neural Networks (GNNs) have attracted much attention due to their ability in learning representations from graph-structured data. Despite the successful applications of GNNs in many domains, the optimization of GNNs is less well studied, and the performance on node classification heavily suffers from the long-tailed node degree distribution. This paper focuses on improving the performance of GNNs via normalization. In detail, by studying the long-tailed distribution of node degrees in the graph, we propose a novel normalization method for GNNs, which is termed ResNorm (\textbf{Res}haping the long-tailed distribution into a normal-like distribution via \textbf{norm}alization). The $scale$ operation of ResNorm reshapes the node-wise standard deviation (NStd) distribution so as to improve the accuracy of tail nodes (\textit{i}.\textit{e}., low-degree nodes). We provide a theoretical interpretation and empirical evidence for understanding the mechanism of the above $scale$. In addition to the long-tailed distribution issue, over-smoothing is also a fundamental issue plaguing the community. To this end, we analyze the behavior of the standard shift and prove that the standard shift serves as a preconditioner on the weight matrix, increasing the risk of over-smoothing. With the over-smoothing issue in mind, we design a $shift$ operation for ResNorm that simulates the degree-specific parameter strategy in a low-cost manner. Extensive experiments have validated the effectiveness of ResNorm on several node classification benchmark datasets.

Probabilistic hierarchical time-series forecasting is an important variant of time-series forecasting, where the goal is to model and forecast multivariate time-series that have underlying hierarchical relations. Most methods focus on point predictions and do not provide well-calibrated probabilistic forecasts distributions. Recent state-of-art probabilistic forecasting methods also impose hierarchical relations on point predictions and samples of distribution which does not account for coherency of forecast distributions. Previous works also silently assume that datasets are always consistent with given hierarchical relations and do not adapt to real-world datasets that show deviation from this assumption. We close both these gaps and propose PROFHIT, which is a fully probabilistic hierarchical forecasting model that jointly models forecast distribution of entire hierarchy. PROFHIT uses a flexible probabilistic Bayesian approach and introduces a novel Distributional Coherency regularization to learn from hierarchical relations for entire forecast distribution that enables robust and calibrated forecasts as well as adapt to datasets of varying hierarchical consistency. On evaluating PROFHIT over wide range of datasets, we observed 41-88% better performance in accuracy and calibration. Due to modeling the coherency over full distribution, we observed that PROFHIT can robustly provide reliable forecasts even if up to 10% of input time-series data is missing where other methods' performance severely degrade by over 70%.

Learning visual representations through self-supervision is an extremely challenging task as the network needs to sieve relevant patterns from spurious distractors without the active guidance provided by supervision. This is achieved through heavy data augmentation, large-scale datasets and prohibitive amounts of compute. Video self-supervised learning (SSL) suffers from added challenges: video datasets are typically not as large as image datasets, compute is an order of magnitude larger, and the amount of spurious patterns the optimizer has to sieve through is multiplied several fold. Thus, directly learning self-supervised representations from video data might result in sub-optimal performance. To address this, we propose to utilize a strong image-based model, pre-trained with self- or language supervision, in a video representation learning framework, enabling the model to learn strong spatial and temporal information without relying on the video labeled data. To this end, we modify the typical video-based SSL design and objective to encourage the video encoder to \textit{subsume} the semantic content of an image-based model trained on a general domain. The proposed algorithm is shown to learn much more efficiently (i.e. in less epochs and with a smaller batch) and results in a new state-of-the-art performance on standard downstream tasks among single-modality SSL methods.

Internet traffic classification is widely used to facilitate network management. It plays a crucial role in Quality of Services (QoS), Quality of Experience (QoE), network visibility, intrusion detection, and traffic trend analyses. While there is no theoretical guarantee that deep learning (DL)-based solutions perform better than classic machine learning (ML)-based ones, DL-based models have become the common default. This paper compares well-known DL-based and ML-based models and shows that in the case of malicious traffic classification, state-of-the-art DL-based solutions do not necessarily outperform the classical ML-based ones. We exemplify this finding using two well-known datasets for a varied set of tasks, such as: malware detection, malware family classification, detection of zero-day attacks, and classification of an iteratively growing dataset. Note that, it is not feasible to evaluate all possible models to make a concrete statement, thus, the above finding is not a recommendation to avoid DL-based models, but rather empirical proof that in some cases, there are more simplistic solutions, that may perform even better.

Variational quantum algorithms have been acknowledged as a leading strategy to realize near-term quantum advantages in meaningful tasks, including machine learning and combinatorial optimization. When applied to tasks involving classical data, such algorithms generally begin with quantum circuits for data encoding and then train quantum neural networks (QNNs) to minimize target functions. Although QNNs have been widely studied to improve these algorithms' performance on practical tasks, there is a gap in systematically understanding the influence of data encoding on the eventual performance. In this paper, we make progress in filling this gap by considering the common data encoding strategies based on parameterized quantum circuits. We prove that, under reasonable assumptions, the distance between the average encoded state and the maximally mixed state could be explicitly upper-bounded with respect to the width and depth of the encoding circuit. This result in particular implies that the average encoded state will concentrate on the maximally mixed state at an exponential speed on depth. Such concentration seriously limits the capabilities of quantum classifiers, and strictly restricts the distinguishability of encoded states from a quantum information perspective. We further support our findings by numerically verifying these results on both synthetic and public data sets. Our results highlight the significance of quantum data encoding in machine learning tasks and may shed light on future encoding strategies.

Video question answering (VideoQA) is a complex task that requires diverse multi-modal data for training. Manual annotation of question and answers for videos, however, is tedious and prohibits scalability. To tackle this problem, recent methods consider zero-shot settings with no manual annotation of visual question-answer. In particular, a promising approach adapts frozen autoregressive language models pretrained on Web-scale text-only data to multi-modal inputs. In contrast, we here build on frozen bidirectional language models (BiLM) and show that such an approach provides a stronger and cheaper alternative for zero-shot VideoQA. In particular, (i) we combine visual inputs with the frozen BiLM using light trainable modules, (ii) we train such modules using Web-scraped multi-modal data, and finally (iii) we perform zero-shot VideoQA inference through masked language modeling, where the masked text is the answer to a given question. Our proposed approach, FrozenBiLM, outperforms the state of the art in zero-shot VideoQA by a significant margin on a variety of datasets, including LSMDC-FiB, iVQA, MSRVTT-QA, MSVD-QA, ActivityNet-QA, TGIF-FrameQA, How2QA and TVQA. It also demonstrates competitive performance in the few-shot and fully-supervised setting. Our code and models will be made publicly available at https://antoyang.github.io/frozenbilm.html.

Domain adversarial training has been ubiquitous for achieving invariant representations and is used widely for various domain adaptation tasks. In recent times, methods converging to smooth optima have shown improved generalization for supervised learning tasks like classification. In this work, we analyze the effect of smoothness enhancing formulations on domain adversarial training, the objective of which is a combination of task loss (eg. classification, regression, etc.) and adversarial terms. We find that converging to a smooth minima with respect to (w.r.t.) task loss stabilizes the adversarial training leading to better performance on target domain. In contrast to task loss, our analysis shows that converging to smooth minima w.r.t. adversarial loss leads to sub-optimal generalization on the target domain. Based on the analysis, we introduce the Smooth Domain Adversarial Training (SDAT) procedure, which effectively enhances the performance of existing domain adversarial methods for both classification and object detection tasks. Our analysis also provides insight into the extensive usage of SGD over Adam in the community for domain adversarial training.

The modeling of binary microlensing light curves via the standard sampling-based method can be challenging, because of the time-consuming light curve computation and the pathological likelihood landscape in the high-dimensional parameter space. In this work, we present MAGIC, which is a machine learning framework to efficiently and accurately infer the microlensing parameters of binary events with realistic data quality. In MAGIC, binary microlensing parameters are divided into two groups and inferred separately with different neural networks. The key feature of MAGIC is the introduction of neural controlled differential equation, which provides the capability to handle light curves with irregular sampling and large data gaps. Based on simulated light curves, we show that MAGIC can achieve fractional uncertainties of a few percent on the binary mass ratio and separation. We also test MAGIC on a real microlensing event. MAGIC is able to locate the degenerate solutions even when large data gaps are introduced. As irregular samplings are common in astronomical surveys, our method also has implications to other studies that involve time series.

In recent years, deep generative models have attracted increasing interest due to their capacity to model complex distributions. Among those models, variational autoencoders have gained popularity as they have proven both to be computationally efficient and yield impressive results in multiple fields. Following this breakthrough, extensive research has been done in order to improve the original publication, resulting in a variety of different VAE models in response to different tasks. In this paper we present Pythae, a versatile open-source Python library providing both a unified implementation and a dedicated framework allowing straightforward, reproducible and reliable use of generative autoencoder models. We then propose to use this library to perform a case study benchmark where we present and compare 19 generative autoencoder models representative of some of the main improvements on downstream tasks such as image reconstruction, generation, classification, clustering and interpolation. The open-source library can be found at https://github.com/clementchadebec/benchmark_VAE.

The focus of the paper is functional output regression (FOR) with convoluted losses. While most existing work consider the square loss setting, we leverage extensions of the Huber and the $\epsilon$-insensitive loss (induced by infimal convolution) and propose a flexible framework capable of handling various forms of outliers and sparsity in the FOR family. We derive computationally tractable algorithms relying on duality to tackle the resulting tasks in the context of vector-valued reproducing kernel Hilbert spaces. The efficiency of the approach is demonstrated and contrasted with the classical squared loss setting on both synthetic and real-world benchmarks.

Score-based generative models have excellent performance in terms of generation quality and likelihood. They model the data distribution by matching a parameterized score network with first-order data score functions. The score network can be used to define an ODE ("score-based diffusion ODE") for exact likelihood evaluation. However, the relationship between the likelihood of the ODE and the score matching objective is unclear. In this work, we prove that matching the first-order score is not sufficient to maximize the likelihood of the ODE, by showing a gap between the maximum likelihood and score matching objectives. To fill up this gap, we show that the negative likelihood of the ODE can be bounded by controlling the first, second, and third-order score matching errors; and we further present a novel high-order denoising score matching method to enable maximum likelihood training of score-based diffusion ODEs. Our algorithm guarantees that the higher-order matching error is bounded by the training error and the lower-order errors. We empirically observe that by high-order score matching, score-based diffusion ODEs achieve better likelihood on both synthetic data and CIFAR-10, while retaining the high generation quality.

Estimating counterfactual outcomes over time has the potential to unlock personalized healthcare by assisting decision-makers to answer ''what-iF'' questions. Existing causal inference approaches typically consider regular, discrete-time intervals between observations and treatment decisions and hence are unable to naturally model irregularly sampled data, which is the common setting in practice. To handle arbitrary observation patterns, we interpret the data as samples from an underlying continuous-time process and propose to model its latent trajectory explicitly using the mathematics of controlled differential equations. This leads to a new approach, the Treatment Effect Neural Controlled Differential Equation (TE-CDE), that allows the potential outcomes to be evaluated at any time point. In addition, adversarial training is used to adjust for time-dependent confounding which is critical in longitudinal settings and is an added challenge not encountered in conventional time-series. To assess solutions to this problem, we propose a controllable simulation environment based on a model of tumor growth for a range of scenarios with irregular sampling reflective of a variety of clinical scenarios. TE-CDE consistently outperforms existing approaches in all simulated scenarios with irregular sampling.

The black-box nature of modern machine learning techniques invokes a practical and ethical need for explainability. Feature importance aims to meet this need by assigning scores to features, so humans can understand their influence on predictions. Feature importance can be used to explain predictions under different settings: of the entire sample space or a specific instance; of model behavior, or the dependencies in the data themselves. However, in most cases thus far, each of these settings was studied in isolation. We attempt to develop a sound feature importance score framework by defining a small set of desired properties. Surprisingly, we prove an inconsistency theorem, showing that the expected properties cannot hold simultaneously. To overcome this difficulty, we propose the novel notion of re-partitioning the feature space into separable sets. Such sets are constructed to contain features that exhibit inter-set independence with respect to the target variable. We show that there exists a unique maximal partitioning into separable sets. Moreover, assigning scores to separable sets, instead of single features, unifies the results of commonly used feature importance scores and annihilates the inconsistencies we demonstrated.

Methods with adaptive scaling of different features play a key role in solving saddle point problems, primarily due to Adam's popularity for solving adversarial machine learning problems, including GANS training. This paper carries out a theoretical analysis of the following scaling techniques for solving SPPs: the well-known Adam and RmsProp scaling and the newer AdaHessian and OASIS based on Hutchison approximation. We use the Extra Gradient and its improved version with negative momentum as the basic method. Experimental studies on GANs show good applicability not only for Adam, but also for other less popular methods.

Deep Reinforcement Learning (DRL) algorithms have been increasingly employed during the last decade to solve various decision-making problems such as autonomous driving and robotics. However, these algorithms have faced great challenges when deployed in safety-critical environments since they often exhibit erroneous behaviors that can lead to potentially critical errors. One way to assess the safety of DRL agents is to test them to detect possible faults leading to critical failures during their execution. This raises the question of how we can efficiently test DRL policies to ensure their correctness and adherence to safety requirements. Most existing works on testing DRL agents use adversarial attacks that perturb states or actions of the agent. However, such attacks often lead to unrealistic states of the environment. Their main goal is to test the robustness of DRL agents rather than testing the compliance of agents' policies with respect to requirements. Due to the huge state space of DRL environments, the high cost of test execution, and the black-box nature of DRL algorithms, the exhaustive testing of DRL agents is impossible. In this paper, we propose a Search-based Testing Approach of Reinforcement Learning Agents (STARLA) to test the policy of a DRL agent by effectively searching for failing executions of the agent within a limited testing budget. We use machine learning models and a dedicated genetic algorithm to narrow the search towards faulty episodes. We apply STARLA on a Deep-Q-Learning agent which is widely used as a benchmark and show that it significantly outperforms Random Testing by detecting more faults related to the agent's policy. We also investigate how to extract rules that characterize faulty episodes of the DRL agent using our search results. Such rules can be used to understand the conditions under which the agent fails and thus assess its deployment risks.

We consider the robust linear regression model $\boldsymbol{y} = X\beta^* + \boldsymbol{\eta}$, where an adversary oblivious to the design $X \in \mathbb{R}^{n \times d}$ may choose $\boldsymbol{\eta}$ to corrupt all but a (possibly vanishing) fraction of the observations $\boldsymbol{y}$ in an arbitrary way. Recent work [dLN+21, dNS21] has introduced efficient algorithms for consistent recovery of the parameter vector. These algorithms crucially rely on the design matrix being well-spread (a matrix is well-spread if its column span is far from any sparse vector). In this paper, we show that there exists a family of design matrices lacking well-spreadness such that consistent recovery of the parameter vector in the above robust linear regression model is information-theoretically impossible. We further investigate the average-case time complexity of certifying well-spreadness of random matrices. We show that it is possible to efficiently certify whether a given $n$-by-$d$ Gaussian matrix is well-spread if the number of observations is quadratic in the ambient dimension. We complement this result by showing rigorous evidence -- in the form of a lower bound against low-degree polynomials -- of the computational hardness of this same certification problem when the number of observations is $o(d^2)$.

Visual domain adaptation (DA) seeks to transfer trained models to unseen, unlabeled domains across distribution shift, but approaches typically focus on adapting convolutional neural network architectures initialized with supervised ImageNet representations. In this work, we shift focus to adapting modern architectures for object recognition -- the increasingly popular Vision Transformer (ViT) -- and modern pretraining based on self-supervised learning (SSL). Inspired by the design of recent SSL approaches based on learning from partial image inputs generated via masking or cropping -- either by learning to predict the missing pixels, or learning representational invariances to such augmentations -- we propose PACMAC, a simple two-stage adaptation algorithm for self-supervised ViTs. PACMAC first performs in-domain SSL on pooled source and target data to learn task-discriminative features, and then probes the model's predictive consistency across a set of partial target inputs generated via a novel attention-conditioned masking strategy, to identify reliable candidates for self-training. Our simple approach leads to consistent performance gains over competing methods that use ViTs and self-supervised initializations on standard object recognition benchmarks. Code available at https://github.com/virajprabhu/PACMAC

Certifiable robustness is a highly desirable property for adopting deep neural networks (DNNs) in safety-critical scenarios, but often demands tedious computations to establish. The main hurdle lies in the massive amount of non-linearity in large DNNs. To trade off the DNN expressiveness (which calls for more non-linearity) and robustness certification scalability (which prefers more linearity), we propose a novel solution to strategically manipulate neurons, by "grafting" appropriate levels of linearity. The core of our proposal is to first linearize insignificant ReLU neurons, to eliminate the non-linear components that are both redundant for DNN performance and harmful to its certification. We then optimize the associated slopes and intercepts of the replaced linear activations for restoring model performance while maintaining certifiability. Hence, typical neuron pruning could be viewed as a special case of grafting a linear function of the fixed zero slopes and intercept, that might overly restrict the network flexibility and sacrifice its performance. Extensive experiments on multiple datasets and network backbones show that our linearity grafting can (1) effectively tighten certified bounds; (2) achieve competitive certifiable robustness without certified robust training (i.e., over 30% improvements on CIFAR-10 models); and (3) scale up complete verification to large adversarially trained models with 17M parameters. Codes are available at https://github.com/VITA-Group/Linearity-Grafting.

Recent self-supervised learning (SSL) methods have shown impressive results in learning visual representations from unlabeled images. This paper aims to improve their performance further by utilizing the architectural advantages of the underlying neural network, as the current state-of-the-art visual pretext tasks for SSL do not enjoy the benefit, i.e., they are architecture-agnostic. In particular, we focus on Vision Transformers (ViTs), which have gained much attention recently as a better architectural choice, often outperforming convolutional networks for various visual tasks. The unique characteristic of ViT is that it takes a sequence of disjoint patches from an image and processes patch-level representations internally. Inspired by this, we design a simple yet effective visual pretext task, coined SelfPatch, for learning better patch-level representations. To be specific, we enforce invariance against each patch and its neighbors, i.e., each patch treats similar neighboring patches as positive samples. Consequently, training ViTs with SelfPatch learns more semantically meaningful relations among patches (without using human-annotated labels), which can be beneficial, in particular, to downstream tasks of a dense prediction type. Despite its simplicity, we demonstrate that it can significantly improve the performance of existing SSL methods for various visual tasks, including object detection and semantic segmentation. Specifically, SelfPatch significantly improves the recent self-supervised ViT, DINO, by achieving +1.3 AP on COCO object detection, +1.2 AP on COCO instance segmentation, and +2.9 mIoU on ADE20K semantic segmentation.

We propose a learning-based method to reconstruct the local terrain for locomotion with a mobile robot traversing urban environments. Using a stream of depth measurements from the onboard cameras and the robot's trajectory, the algorithm estimates the topography in the robot's vicinity. The raw measurements from these cameras are noisy and only provide partial and occluded observations that in many cases do not show the terrain the robot stands on. Therefore, we propose a 3D reconstruction model that faithfully reconstructs the scene, despite the noisy measurements and large amounts of missing data coming from the blind spots of the camera arrangement. The model consists of a 4D fully convolutional network on point clouds that learns the geometric priors to complete the scene from the context and an auto-regressive feedback to leverage spatio-temporal consistency and use evidence from the past. The network can be solely trained with synthetic data, and due to extensive augmentation, it is robust in the real world, as shown in the validation on a quadrupedal robot, ANYmal, traversing challenging settings. We run the pipeline on the robot's onboard low-power computer using an efficient sparse tensor implementation and show that the proposed method outperforms classical map representations.

We introduce Hyperbard, a dataset of diverse relational data representations derived from Shakespeare's plays. Our representations range from simple graphs capturing character co-occurrence in single scenes to hypergraphs encoding complex communication settings and character contributions as hyperedges with edge-specific node weights. By making multiple intuitive representations readily available for experimentation, we facilitate rigorous representation robustness checks in graph learning, graph mining, and network analysis, highlighting the advantages and drawbacks of specific representations. Leveraging the data released in Hyperbard, we demonstrate that many solutions to popular graph mining problems are highly dependent on the representation choice, thus calling current graph curation practices into question. As an homage to our data source, and asserting that science can also be art, we present all our points in the form of a play.

Speech is easily leaked imperceptibly, such as being recorded by mobile phones in different situations. Private content in speech may be maliciously extracted through speech enhancement technology. Speech enhancement technology has developed rapidly along with deep neural networks (DNNs), but adversarial examples can cause DNNs to fail. In this work, we propose an adversarial method to degrade speech enhancement systems. Experimental results show that generated adversarial examples can erase most content information in original examples or replace it with target speech content through speech enhancement. The word error rate (WER) between an enhanced original example and enhanced adversarial example recognition result can reach 89.0%. WER of target attack between enhanced adversarial example and target example is low to 33.75% . Adversarial perturbation can bring the rate of change to the original example to more than 1.4430. This work can prevent the malicious extraction of speech.

Quantum physics experiments produce interesting phenomena such as interference or entanglement, which are core properties of numerous future quantum technologies. The complex relationship between the setup structure of a quantum experiment and its entanglement properties is essential to fundamental research in quantum optics but is difficult to intuitively understand. We present a deep generative model of quantum optics experiments where a variational autoencoder is trained on a dataset of quantum optics experimental setups. In a series of computational experiments, we investigate the learned representation of our Quantum Optics Variational Auto Encoder (QOVAE) and its internal understanding of the quantum optics world. We demonstrate that the QOVAE learns an interpretable representation of quantum optics experiments and the relationship between experiment structure and entanglement. We show the QOVAE is able to generate novel experiments for highly entangled quantum states with specific distributions that match its training data. The QOVAE can learn to generate specific entangled states and efficiently search the space of experiments that produce highly entangled quantum states. Importantly, we are able to interpret how the QOVAE structures its latent space, finding curious patterns that we can explain in terms of quantum physics. The results demonstrate how we can use and understand the internal representations of deep generative models in a complex scientific domain. The QOVAE and the insights from our investigations can be immediately applied to other physical systems.

Dominated actions are natural (and perhaps the simplest possible) multi-agent generalizations of sub-optimal actions as in standard single-agent decision making. Thus similar to standard bandit learning, a basic learning question in multi-agent systems is whether agents can learn to efficiently eliminate all dominated actions in an unknown game if they can only observe noisy bandit feedback about the payoff of their played actions. Surprisingly, despite a seemingly simple task, we show a quite negative result; that is, standard no regret algorithms -- including the entire family of Dual Averaging algorithms -- provably take exponentially many rounds to eliminate all dominated actions. Moreover, algorithms with the stronger no swap regret also suffer similar exponential inefficiency. To overcome these barriers, we develop a new algorithm that adjusts Exp3 with Diminishing Historical rewards (termed Exp3-DH); Exp3-DH gradually forgets history at carefully tailored rates. We prove that when all agents run Exp3-DH (a.k.a., self-play in multi-agent learning), all dominated actions can be iteratively eliminated within polynomially many rounds. Our experimental results further demonstrate the efficiency of Exp3-DH, and that state-of-the-art bandit algorithms, even those developed specifically for learning in games, fail to eliminate all dominated actions efficiently.

In bandit with distribution shifts, one aims to automatically adapt to unknown changes in reward distribution, and restart exploration when necessary. While this problem has been studied for many years, a recent breakthrough of Auer et al. (2018, 2019) provides the first adaptive procedure to guarantee an optimal (dynamic) regret $\sqrt{LT}$, for $T$ rounds, and an unknown number $L$ of changes. However, while this rate is tight in the worst case, it remained open whether faster rates are possible, without prior knowledge, if few changes in distribution are actually severe. To resolve this question, we propose a new notion of significant shift, which only counts very severe changes that clearly necessitate a restart: roughly, these are changes involving not only best arm switches, but also involving large aggregate differences in reward overtime. Thus, our resulting procedure adaptively achieves rates always faster (sometimes significantly) than $O(\sqrt{ST})$, where $S\ll L$ only counts best arm switches, while at the same time, always faster than the optimal $O(V^{\frac{1}{3}}T^{\frac{2}{3}})$ when expressed in terms of total variation $V$ (which aggregates differences overtime). Our results are expressed in enough generality to also capture non-stochastic adversarial settings.

Prescriptive process monitoring approaches leverage historical data to prescribe runtime interventions that will likely prevent negative case outcomes or improve a process's performance. A centerpiece of a prescriptive process monitoring method is its intervention policy: a decision function determining if and when to trigger an intervention on an ongoing case. Previous proposals in this field rely on intervention policies that consider only the current state of a given case. These approaches do not consider the tradeoff between triggering an intervention in the current state, given the level of uncertainty of the underlying predictive models, versus delaying the intervention to a later state. Moreover, they assume that a resource is always available to perform an intervention (infinite capacity). This paper addresses these gaps by introducing a prescriptive process monitoring method that filters and ranks ongoing cases based on prediction scores, prediction uncertainty, and causal effect of the intervention, and triggers interventions to maximize a gain function, considering the available resources. The proposal is evaluated using a real-life event log. The results show that the proposed method outperforms existing baselines regarding total gain.

Recently, Optimization-Derived Learning (ODL) has attracted attention from learning and vision areas, which designs learning models from the perspective of optimization. However, previous ODL approaches regard the training and hyper-training procedures as two separated stages, meaning that the hyper-training variables have to be fixed during the training process, and thus it is also impossible to simultaneously obtain the convergence of training and hyper-training variables. In this work, we design a Generalized Krasnoselskii-Mann (GKM) scheme based on fixed-point iterations as our fundamental ODL module, which unifies existing ODL methods as special cases. Under the GKM scheme, a Bilevel Meta Optimization (BMO) algorithmic framework is constructed to solve the optimal training and hyper-training variables together. We rigorously prove the essential joint convergence of the fixed-point iteration for training and the process of optimizing hyper-parameters for hyper-training, both on the approximation quality, and on the stationary analysis. Experiments demonstrate the efficiency of BMO with competitive performance on sparse coding and real-world applications such as image deconvolution and rain streak removal.

Deep reinforcement learning (DRL) has empowered a variety of artificial intelligence fields, including pattern recognition, robotics, recommendation-systems, and gaming. Similarly, graph neural networks (GNN) have also demonstrated their superior performance in supervised learning for graph-structured data. In recent times, the fusion of GNN with DRL for graph-structured environments has attracted a lot of attention. This paper provides a comprehensive review of these hybrid works. These works can be classified into two categories: (1) algorithmic enhancement, where DRL and GNN complement each other for better utility; (2) application-specific enhancement, where DRL and GNN support each other. This fusion effectively addresses various complex problems in engineering and life sciences. Based on the review, we further analyze the applicability and benefits of fusing these two domains, especially in terms of increasing generalizability and reducing computational complexity. Finally, the key challenges in integrating DRL and GNN, and potential future research directions are highlighted, which will be of interest to the broader machine learning community.

We present results from a large-scale experiment on pretraining encoders with non-embedding parameter counts ranging from 700M to 9.3B, their subsequent distillation into smaller models ranging from 17M-170M parameters, and their application to the Natural Language Understanding (NLU) component of a virtual assistant system. Though we train using 70% spoken-form data, our teacher models perform comparably to XLM-R and mT5 when evaluated on the written-form Cross-lingual Natural Language Inference (XNLI) corpus. We perform a second stage of pretraining on our teacher models using in-domain data from our system, improving error rates by 3.86% relative for intent classification and 7.01% relative for slot filling. We find that even a 170M-parameter model distilled from our Stage 2 teacher model has 2.88% better intent classification and 7.69% better slot filling error rates when compared to the 2.3B-parameter teacher trained only on public data (Stage 1), emphasizing the importance of in-domain data for pretraining. When evaluated offline using labeled NLU data, our 17M-parameter Stage 2 distilled model outperforms both XLM-R Base (85M params) and DistillBERT (42M params) by 4.23% to 6.14%, respectively. Finally, we present results from a full virtual assistant experimentation platform, where we find that models trained using our pretraining and distillation pipeline outperform models distilled from 85M-parameter teachers by 3.74%-4.91% on an automatic measurement of full-system user dissatisfaction.

Continual learning (CL) aims to learn from sequentially arriving tasks without forgetting previous tasks. Whereas CL algorithms have tried to achieve higher average test accuracy across all the tasks learned so far, learning continuously useful representations is critical for successful generalization and downstream transfer. To measure representational quality, we re-train only the output layers using a small balanced dataset for all the tasks, evaluating the average accuracy without any biased predictions toward the current task. We also test on several downstream tasks, measuring transfer learning accuracy of the learned representations. By testing our new formalism on ImageNet-100 and ImageNet-1000, we find that using more exemplar memory is the only option to make a meaningful difference in learned representations, and most of the regularization- or distillation-based CL algorithms that use the exemplar memory fail to learn continuously useful representations in class-incremental learning. Surprisingly, unsupervised (or self-supervised) CL with sufficient memory size can achieve comparable performance to the supervised counterparts. Considering non-trivial labeling costs, we claim that finding more efficient unsupervised CL algorithms that minimally use exemplary memory would be the next promising direction for CL research.

Analog computing is attractive compared to digital computing due to its potential for achieving higher computational density and higher energy efficiency. However, unlike digital circuits, conventional analog computing circuits cannot be easily mapped across different process nodes due to differences in transistor biasing regimes, temperature variations and limited dynamic range. In this work, we generalize the previously reported margin-propagation-based analog computing framework for designing novel \textit{shape-based analog computing} (S-AC) circuits that can be easily cross-mapped across different process nodes. Similar to digital designs S-AC designs can also be scaled for precision, speed, and power. As a proof-of-concept, we show several examples of S-AC circuits implementing mathematical functions that are commonly used in machine learning (ML) architectures. Using circuit simulations we demonstrate that the circuit input/output characteristics remain robust when mapped from a planar CMOS 180nm process to a FinFET 7nm process. Also, using benchmark datasets we demonstrate that the classification accuracy of a S-AC based neural network remains robust when mapped across the two processes and to changes in temperature.

Modern Internet of Things (IoT) environments are monitored via a large number of IoT enabled sensing devices, with the data acquisition and processing infrastructure setting restrictions in terms of computational power and energy resources. To alleviate this issue, sensors are often configured to operate at relatively low sampling frequencies, yielding a reduced set of observations. Nevertheless, this can hamper dramatically subsequent decision-making, such as forecasting. To address this problem, in this work we evaluate short-term forecasting in highly underdetermined cases, i.e., the number of sensor streams is much higher than the number of observations. Several statistical, machine learning and neural network-based models are thoroughly examined with respect to the resulting forecasting accuracy on five different real-world datasets. The focus is given on a unified experimental protocol especially designed for short-term prediction of multiple time series at the IoT edge. The proposed framework can be considered as an important step towards establishing a solid forecasting strategy in resource constrained IoT applications.

Estimated uncertainty by approximate posteriors in Bayesian neural networks are prone to miscalibration, which leads to overconfident predictions in critical tasks that have a clear asymmetric cost or significant losses. Here, we extend the approximate inference for the loss-calibrated Bayesian framework to dropweights based Bayesian neural networks by maximising expected utility over a model posterior to calibrate uncertainty in deep learning. Furthermore, we show that decisions informed by loss-calibrated uncertainty can improve diagnostic performance to a greater extent than straightforward alternatives. We propose Maximum Uncertainty Calibration Error (MUCE) as a metric to measure calibrated confidence, in addition to its prediction especially for high-risk applications, where the goal is to minimise the worst-case deviation between error and estimated uncertainty. In experiments, we show the correlation between error in prediction and estimated uncertainty by interpreting Wasserstein distance as the accuracy of prediction. We evaluated the effectiveness of our approach to detecting Covid-19 from X-Ray images. Experimental results show that our method reduces miscalibration considerably, without impacting the models accuracy and improves reliability of computer-based diagnostics.

We propose to use the Generalized Morse Wavelets (GMWs) instead of commonly-used Morlet (or Gabor) wavelets in the Scattering Transform Network (STN), which we call the GMW-STN, for signal classification problems. The GMWs form a parameterized family of truly analytic wavelets while the Morlet wavelets are only approximately analytic. The analyticity of underlying wavelet filters in the STN is particularly important for nonstationary oscillatory signals such as music signals because it improves interpretability of the STN representations by providing multiscale amplitude and phase (and consequently frequency) information of input signals. We demonstrate the superiority of the GMW-STN over the conventional STN in music genre classification using the so-called GTZAN database. Moreover, we show the performance improvement of the GMW-STN by increasing its number of layers to three over the typical two-layer STN.}

Graph Self-Supervised Learning (GSSL) paves the way for learning graph embeddings without expert annotation, which is particularly impactful for molecular graphs since the number of possible molecules is enormous and labels are expensive to obtain. However, by design, GSSL methods are not trained to perform well on one downstream task but aim for transferability to many, making evaluating them less straightforward. As a step toward obtaining profiles of molecular graph embeddings with diverse and interpretable attributes, we introduce Molecular Graph Representation Evaluation (MolGraphEval), a suite of probe tasks, categorised into (i) topological-, (ii) substructure-, and (iii) embedding space properties. By benchmarking existing GSSL methods on both existing downstream datasets and MolGraphEval, we discover surprising discrepancies between conclusions drawn from existing datasets alone versus more fine-grained probing, suggesting that current evaluation protocols do not provide the whole picture. Our modular, automated end-to-end GSSL pipeline code will be released upon acceptance, including standardised graph loading, experiment management, and embedding evaluation.

Making classifiers robust to adversarial examples is hard. Thus, many defenses tackle the seemingly easier task of detecting perturbed inputs. We show a barrier towards this goal. We prove a general hardness reduction between detection and classification of adversarial examples: given a robust detector for attacks at distance {\epsilon} (in some metric), we can build a similarly robust (but inefficient) classifier for attacks at distance {\epsilon}/2. Our reduction is computationally inefficient, and thus cannot be used to build practical classifiers. Instead, it is a useful sanity check to test whether empirical detection results imply something much stronger than the authors presumably anticipated. To illustrate, we revisit 13 detector defenses. For 11/13 cases, we show that the claimed detection results would imply an inefficient classifier with robustness far beyond the state-of-the-art.

Understanding the thermal behavior of additive manufacturing (AM) processes is crucial for enhancing the quality control and enabling customized process design. Most purely physics-based computational models suffer from intensive computational costs, thus not suitable for online control and iterative design application. Data-driven models taking advantage of the latest developed computational tools can serve as a more efficient surrogate, but they are usually trained over a large amount of simulation data and often fail to effectively use small but high-quality experimental data. In this work, we developed a hybrid physics-based data-driven thermal modeling approach of AM processes using physics-informed neural networks. Specifically, partially observed temperature data measured from an infrared camera is combined with the physics laws to predict full-field temperature history and to discover unknown material and process parameters. In the numerical and experimental examples, the effectiveness of adding auxiliary training data and using the technique of transfer learning on training efficiency and prediction accuracy, as well as the ability to identify unknown parameters with partially observed data, are demonstrated. The results show that the hybrid thermal model can effectively identify unknown parameters and capture the full-field temperature accurately, and thus it has the potential to be used in iterative process design and real-time process control of AM.

Machine learning is vulnerable to adversarial manipulation. Previous literature has demonstrated that at the training stage attackers can manipulate data and data sampling procedures to control model behaviour. A common attack goal is to plant backdoors i.e. force the victim model to learn to recognise a trigger known only by the adversary. In this paper, we introduce a new class of backdoor attacks that hide inside model architectures i.e. in the inductive bias of the functions used to train. These backdoors are simple to implement, for instance by publishing open-source code for a backdoored model architecture that others will reuse unknowingly. We demonstrate that model architectural backdoors represent a real threat and, unlike other approaches, can survive a complete re-training from scratch. We formalise the main construction principles behind architectural backdoors, such as a link between the input and the output, and describe some possible protections against them. We evaluate our attacks on computer vision benchmarks of different scales and demonstrate the underlying vulnerability is pervasive in a variety of training settings.

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly operates on both continuous (atom coordinates) and categorical features (atom types). In addition, we provide a probabilistic analysis which admits likelihood computation of molecules using our model. Experimentally, the proposed method significantly outperforms previous 3D molecular generative methods regarding the quality of generated samples and efficiency at training time.

As edge devices become increasingly powerful, data analytics are gradually moving from a centralized to a decentralized regime where edge compute resources are exploited to process more of the data locally. This regime of analytics is coined as federated data analytics (FDA). In spite of the recent success stories of FDA, most literature focuses exclusively on deep neural networks. In this work, we take a step back to develop an FDA treatment for one of the most fundamental statistical models: linear regression. Our treatment is built upon hierarchical modeling that allows borrowing strength across multiple groups. To this end, we propose two federated hierarchical model structures that provide a shared representation across devices to facilitate information sharing. Notably, our proposed frameworks are capable of providing uncertainty quantification, variable selection, hypothesis testing and fast adaptation to new unseen data. We validate our methods on a range of real-life applications including condition monitoring for aircraft engines. The results show that our FDA treatment for linear models can serve as a competing benchmark model for future development of federated algorithms.

Real-world data collected from multiple domains can have multiple, distinct distribution shifts over multiple attributes. However, state-of-the art advances in domain generalization (DG) algorithms focus only on specific shifts over a single attribute. We introduce datasets with multi-attribute distribution shifts and find that existing DG algorithms fail to generalize. To explain this, we use causal graphs to characterize the different types of shifts based on the relationship between spurious attributes and the classification label. Each multi-attribute causal graph entails different constraints over observed variables, and therefore any algorithm based on a single, fixed independence constraint cannot work well across all shifts. We present Causally Adaptive Constraint Minimization (CACM), a new algorithm for identifying the correct independence constraints for regularization. Results on fully synthetic, MNIST and small NORB datasets, covering binary and multi-valued attributes and labels, confirm our theoretical claim: correct independence constraints lead to the highest accuracy on unseen domains whereas incorrect constraints fail to do so. Our results demonstrate the importance of modeling the causal relationships inherent in the data-generating process: in many cases, it is impossible to know the correct regularization constraints without this information.

Differentially Private (DP) data release is a promising technique to disseminate data without compromising the privacy of data subjects. However the majority of prior work has focused on scenarios where a single party owns all the data. In this paper we focus on the multi-party setting, where different stakeholders own disjoint sets of attributes belonging to the same group of data subjects. Within the context of linear regression that allow all parties to train models on the complete data without the ability to infer private attributes or identities of individuals, we start with directly applying Gaussian mechanism and show it has the small eigenvalue problem. We further propose our novel method and prove it asymptotically converges to the optimal (non-private) solutions with increasing dataset size. We substantiate the theoretical results through experiments on both artificial and real-world datasets.

In modern NLP applications, word embeddings are a crucial backbone that can be readily shared across a number of tasks. However as the text distributions change and word semantics evolve over time, the downstream applications using the embeddings can suffer if the word representations do not conform to the data drift. Thus, maintaining word embeddings to be consistent with the underlying data distribution is a key problem. In this work, we tackle this problem and propose TransDrift, a transformer-based prediction model for word embeddings. Leveraging the flexibility of transformer, our model accurately learns the dynamics of the embedding drift and predicts the future embedding. In experiments, we compare with existing methods and show that our model makes significantly more accurate predictions of the word embedding than the baselines. Crucially, by applying the predicted embeddings as a backbone for downstream classification tasks, we show that our embeddings lead to superior performance compared to the previous methods.

Recent work in machine learning and cognitive science has suggested that understanding causal information is essential to the development of intelligence. The extensive literature in cognitive science using the ``blicket detector'' environment shows that children are adept at many kinds of causal inference and learning. We propose to adapt that environment for machine learning agents. One of the key challenges for current machine learning algorithms is modeling and understanding causal overhypotheses: transferable abstract hypotheses about sets of causal relationships. In contrast, even young children spontaneously learn and use causal overhypotheses. In this work, we present a new benchmark -- a flexible environment which allows for the evaluation of existing techniques under variable causal overhypotheses -- and demonstrate that many existing state-of-the-art methods have trouble generalizing in this environment. The code and resources for this benchmark are available at https://github.com/CannyLab/casual_overhypotheses.

Current deep learning models for dynamics forecasting struggle with generalization. They can only forecast in a specific domain and fail when applied to systems with different parameters, external forces, or boundary conditions. We propose a model-based meta-learning method called DyAd which can generalize across heterogeneous domains by partitioning them into different tasks. DyAd has two parts: an encoder which infers the time-invariant hidden features of the task with weak supervision, and a forecaster which learns the shared dynamics of the entire domain. The encoder adapts and controls the forecaster during inference using adaptive instance normalization and adaptive padding. Theoretically, we prove that the generalization error of such procedure is related to the task relatedness in the source domain, as well as the domain differences between source and target. Experimentally, we demonstrate that our model outperforms state-of-the-art approaches on both turbulent flow and real-world ocean data forecasting tasks.

In this paper, we propose approximate Frank-Wolfe (FW) algorithms to solve convex optimization problems over graph-structured support sets where the \textit{linear minimization oracle} (LMO) cannot be efficiently obtained in general. We first demonstrate that two popular approximation assumptions (\textit{additive} and \textit{multiplicative gap errors)}, are not valid for our problem, in that no cheap gap-approximate LMO oracle exists in general. Instead, a new \textit{approximate dual maximization oracle} (DMO) is proposed, which approximates the inner product rather than the gap. When the objective is $L$-smooth, we prove that the standard FW method using a $\delta$-approximate DMO converges as $\mathcal{O}(L / \delta t + (1-\delta)(\delta^{-1} + \delta^{-2}))$ in general, and as $\mathcal{O}(L/(\delta^2(t+2)))$ over a $\delta$-relaxation of the constraint set. Additionally, when the objective is $\mu$-strongly convex and the solution is unique, a variant of FW converges to $\mathcal{O}(L^2\log(t)/(\mu \delta^6 t^2))$ with the same per-iteration complexity. Our empirical results suggest that even these improved bounds are pessimistic, with significant improvement in recovering real-world images with graph-structured sparsity.

Time series alignment methods call for highly expressive, differentiable and invertible warping functions which preserve temporal topology, i.e diffeomorphisms. Diffeomorphic warping functions can be generated from the integration of velocity fields governed by an ordinary differential equation (ODE). Gradient-based optimization frameworks containing diffeomorphic transformations require to calculate derivatives to the differential equation's solution with respect to the model parameters, i.e. sensitivity analysis. Unfortunately, deep learning frameworks typically lack automatic-differentiation-compatible sensitivity analysis methods; and implicit functions, such as the solution of ODE, require particular care. Current solutions appeal to adjoint sensitivity methods, ad-hoc numerical solvers or ResNet's Eulerian discretization. In this work, we present a closed-form expression for the ODE solution and its gradient under continuous piecewise-affine (CPA) velocity functions. We present a highly optimized implementation of the results on CPU and GPU. Furthermore, we conduct extensive experiments on several datasets to validate the generalization ability of our model to unseen data for time-series joint alignment. Results show significant improvements both in terms of efficiency and accuracy.

Deep learning based forecasting methods have become the methods of choice in many applications of time series prediction or forecasting often outperforming other approaches. Consequently, over the last years, these methods are now ubiquitous in large-scale industrial forecasting applications and have consistently ranked among the best entries in forecasting competitions (e.g., M4 and M5). This practical success has further increased the academic interest to understand and improve deep forecasting methods. In this article we provide an introduction and overview of the field: We present important building blocks for deep forecasting in some depth; using these building blocks, we then survey the breadth of the recent deep forecasting literature.

While the application of differential privacy (DP) has been well-studied in cross-device federated learning (FL), there is a lack of work considering DP for cross-silo FL, a setting characterized by a limited number of clients each containing many data subjects. In cross-silo FL, usual notions of client-level privacy are less suitable as real-world privacy regulations typically concern in-silo data subjects rather than the silos themselves. In this work, we instead consider the more realistic notion of silo-specific item-level privacy, where silos set their own privacy targets for their local examples. Under this setting, we reconsider the roles of personalization in federated learning. In particular, we show that mean-regularized multi-task learning (MR-MTL), a simple personalization framework, is a strong baseline for cross-silo FL: under stronger privacy, silos are further incentivized to "federate" with each other to mitigate DP noise, resulting in consistent improvements relative to standard baseline methods. We provide a thorough empirical study of competing methods as well as a theoretical characterization of MR-MTL for a mean estimation problem, highlighting the interplay between privacy and cross-silo data heterogeneity. Our work serves to establish baselines for private cross-silo FL as well as identify key directions of future work in this area.

Due to the rising concerns on privacy protection, how to build machine learning (ML) models over different data sources with security guarantees is gaining more popularity. Vertical federated learning (VFL) describes such a case where ML models are built upon the private data of different participated parties that own disjoint features for the same set of instances, which fits many real-world collaborative tasks. Nevertheless, we find that existing solutions for VFL either support limited kinds of input features or suffer from potential data leakage during the federated execution. To this end, this paper aims to investigate both the functionality and security of ML modes in the VFL scenario. To be specific, we introduce BlindFL, a novel framework for VFL training and inference. First, to address the functionality of VFL models, we propose the federated source layers to unite the data from different parties. Various kinds of features can be supported efficiently by the federated source layers, including dense, sparse, numerical, and categorical features. Second, we carefully analyze the security during the federated execution and formalize the privacy requirements. Based on the analysis, we devise secure and accurate algorithm protocols, and further prove the security guarantees under the ideal-real simulation paradigm. Extensive experiments show that BlindFL supports diverse datasets and models efficiently whilst achieves robust privacy guarantees.

Conventional domain adaptation (DA) techniques aim to improve domain transferability by learning domain-invariant representations; while concurrently preserving the task-discriminability knowledge gathered from the labeled source data. However, the requirement of simultaneous access to labeled source and unlabeled target renders them unsuitable for the challenging source-free DA setting. The trivial solution of realizing an effective original to generic domain mapping improves transferability but degrades task discriminability. Upon analyzing the hurdles from both theoretical and empirical standpoints, we derive novel insights to show that a mixup between original and corresponding translated generic samples enhances the discriminability-transferability trade-off while duly respecting the privacy-oriented source-free setting. A simple but effective realization of the proposed insights on top of the existing source-free DA approaches yields state-of-the-art performance with faster convergence. Beyond single-source, we also outperform multi-source prior-arts across both classification and semantic segmentation benchmarks.

Machine learning (ML) models are increasingly being used in application domains that often involve working together with human experts. In this context, it can be advantageous to defer certain instances to a single human expert when they are difficult to predict for the ML model. While previous work has focused on scenarios with one distinct human expert, in many real-world situations several human experts with varying capabilities may be available. In this work, we propose an approach that trains a classification model to complement the capabilities of multiple human experts. By jointly training the classifier together with an allocation system, the classifier learns to accurately predict those instances that are difficult for the human experts, while the allocation system learns to pass each instance to the most suitable team member -- either the classifier or one of the human experts. We evaluate our proposed approach in multiple experiments on public datasets with "synthetic" experts and a real-world medical dataset annotated by multiple radiologists. Our approach outperforms prior work and is more accurate than the best human expert or a classifier. Furthermore, it is flexibly adaptable to teams of varying sizes and different levels of expert diversity.

Since the celebrated works of Russo and Zou (2016,2019) and Xu and Raginsky (2017), it has been well known that the generalization error of supervised learning algorithms can be bounded in terms of the mutual information between their input and the output, given that the loss of any fixed hypothesis has a subgaussian tail. In this work, we generalize this result beyond the standard choice of Shannon's mutual information to measure the dependence between the input and the output. Our main result shows that it is indeed possible to replace the mutual information by any strongly convex function of the joint input-output distribution, with the subgaussianity condition on the losses replaced by a bound on an appropriately chosen norm capturing the geometry of the dependence measure. This allows us to derive a range of generalization bounds that are either entirely new or strengthen previously known ones. Examples include bounds stated in terms of $p$-norm divergences and the Wasserstein-2 distance, which are respectively applicable for heavy-tailed loss distributions and highly smooth loss functions. Our analysis is entirely based on elementary tools from convex analysis by tracking the growth of a potential function associated with the dependence measure and the loss function.

With the rapid development of artificial intelligence, the combination of material database and machine learning has driven the progress of material informatics. Because aluminum alloy is widely used in many fields, so it is significant to predict the properties of aluminum alloy. In this thesis, the data of Al-Cu-Mg-X (X: Zn, Zr, etc.) alloy are used to input the composition, aging conditions (time and temperature) and predict its hardness. An ensemble learning solution based on automatic machine learning and an attention mechanism introduced into the secondary learner of deep neural network are proposed respectively. The experimental results show that selecting the correct secondary learner can further improve the prediction accuracy of the model. This manuscript introduces the attention mechanism to improve the secondary learner based on deep neural network, and obtains a fusion model with better performance. The R-Square of the best model is 0.9697 and the MAE is 3.4518HV.

Alzheimer's disease (AD) is the most common cause of dementia. An early detection is crucial for slowing down the disease and mitigating risks related to the progression. While the combination of MRI and FDG-PET is the best image-based tool for diagnosis, FDG-PET is not always available. The reliable detection of Alzheimer's disease with only MRI could be beneficial, especially in regions where FDG-PET might not be affordable for all patients. To this end, we propose a multi-task method based on U-Net that takes T1-weighted MR images as an input to generate synthetic FDG-PET images and classifies the dementia progression of the patient into cognitive normal (CN), cognitive impairment (MCI), and AD. The attention gates used in both task heads can visualize the most relevant parts of the brain, guiding the examiner and adding interpretability. Results show the successful generation of synthetic FDG-PET images and a performance increase in disease classification over the naive single-task baseline.

Consider the problem of imputing missing values in a dataset. One the one hand, conventional approaches using iterative imputation benefit from the simplicity and customizability of learning conditional distributions directly, but suffer from the practical requirement for appropriate model specification of each and every variable. On the other hand, recent methods using deep generative modeling benefit from the capacity and efficiency of learning with neural network function approximators, but are often difficult to optimize and rely on stronger data assumptions. In this work, we study an approach that marries the advantages of both: We propose *HyperImpute*, a generalized iterative imputation framework for adaptively and automatically configuring column-wise models and their hyperparameters. Practically, we provide a concrete implementation with out-of-the-box learners, optimizers, simulators, and extensible interfaces. Empirically, we investigate this framework via comprehensive experiments and sensitivities on a variety of public datasets, and demonstrate its ability to generate accurate imputations relative to a strong suite of benchmarks. Contrary to recent work, we believe our findings constitute a strong defense of the iterative imputation paradigm.

Leading graph contrastive learning (GCL) methods perform graph augmentations in two fashions: (1) randomly corrupting the anchor graph, which could cause the loss of semantic information, or (2) using domain knowledge to maintain salient features, which undermines the generalization to other domains. Taking an invariance look at GCL, we argue that a high-performing augmentation should preserve the salient semantics of anchor graphs regarding instance-discrimination. To this end, we relate GCL with invariant rationale discovery, and propose a new framework, Rationale-aware Graph Contrastive Learning (RGCL). Specifically, without supervision signals, RGCL uses a rationale generator to reveal salient features about graph instance-discrimination as the rationale, and then creates rationale-aware views for contrastive learning. This rationale-aware pre-training scheme endows the backbone model with the powerful representation ability, further facilitating the fine-tuning on downstream tasks. On MNIST-Superpixel and MUTAG datasets, visual inspections on the discovered rationales showcase that the rationale generator successfully captures the salient features (i.e. distinguishing semantic nodes in graphs). On biochemical molecule and social network benchmark datasets, the state-of-the-art performance of RGCL demonstrates the effectiveness of rationale-aware views for contrastive learning. Our codes are available at https://github.com/lsh0520/RGCL.

Despite the considerable progress in automatic abdominal multi-organ segmentation from CT/MRI scans in recent years, a comprehensive evaluation of the models' capabilities is hampered by the lack of a large-scale benchmark from diverse clinical scenarios. Constraint by the high cost of collecting and labeling 3D medical data, most of the deep learning models to date are driven by datasets with a limited number of organs of interest or samples, which still limits the power of modern deep models and makes it difficult to provide a fully comprehensive and fair estimate of various methods. To mitigate the limitations, we present AMOS, a large-scale, diverse, clinical dataset for abdominal organ segmentation. AMOS provides 500 CT and 100 MRI scans collected from multi-center, multi-vendor, multi-modality, multi-phase, multi-disease patients, each with voxel-level annotations of 15 abdominal organs, providing challenging examples and test-bed for studying robust segmentation algorithms under diverse targets and scenarios. We further benchmark several state-of-the-art medical segmentation models to evaluate the status of the existing methods on this new challenging dataset. We have made our datasets, benchmark servers, and baselines publicly available, and hope to inspire future research. Information can be found at https://amos22.grand-challenge.org.

Unsupervised Domain Adaptation demonstrates great potential to mitigate domain shifts by transferring models from labeled source domains to unlabeled target domains. While Unsupervised Domain Adaptation has been applied to a wide variety of complex vision tasks, only few works focus on lane detection for autonomous driving. This can be attributed to the lack of publicly available datasets. To facilitate research in these directions, we propose CARLANE, a 3-way sim-to-real domain adaptation benchmark for 2D lane detection. CARLANE encompasses the single-target datasets MoLane and TuLane and the multi-target dataset MuLane. These datasets are built from three different domains, which cover diverse scenes and contain a total of 163K unique images, 118K of which are annotated. In addition we evaluate and report systematic baselines, including our own method, which builds upon Prototypical Cross-domain Self-supervised Learning. We find that false positive and false negative rates of the evaluated domain adaptation methods are high compared to those of fully supervised baselines. This affirms the need for benchmarks such as CARLANE to further strengthen research in Unsupervised Domain Adaptation for lane detection. CARLANE, all evaluated models and the corresponding implementations are publicly available at https://carlanebenchmark.github.io.

In the context of supervised parametric models, we introduce the concept of e-values. An e-value is a scalar quantity that represents the proximity of the sampling distribution of parameter estimates in a model trained on a subset of features to that of the model trained on all features (i.e. the full model). Under general conditions, a rank ordering of e-values separates models that contain all essential features from those that do not. The e-values are applicable to a wide range of parametric models. We use data depths and a fast resampling-based algorithm to implement a feature selection procedure using e-values, providing consistency results. For a $p$-dimensional feature space, this procedure requires fitting only the full model and evaluating $p+1$ models, as opposed to the traditional requirement of fitting and evaluating $2^p$ models. Through experiments across several model settings and synthetic and real datasets, we establish that the e-values method as a promising general alternative to existing model-specific methods of feature selection.

Federated learning faces huge challenges from model overfitting due to the lack of data and statistical diversity among clients. To address these challenges, this paper proposes a novel personalized federated learning method via Bayesian variational inference named pFedBayes. To alleviate the overfitting, weight uncertainty is introduced to neural networks for clients and the server. To achieve personalization, each client updates its local distribution parameters by balancing its construction error over private data and its KL divergence with global distribution from the server. Theoretical analysis gives an upper bound of averaged generalization error and illustrates that the convergence rate of the generalization error is minimax optimal up to a logarithmic factor. Experiments show that the proposed method outperforms other advanced personalized methods on personalized models, e.g., pFedBayes respectively outperforms other SOTA algorithms by 1.25%, 0.42% and 11.71% on MNIST, FMNIST and CIFAR-10 under non-i.i.d. limited data.

We study the close interplay between error and compression in the non-parametric multiclass classification setting in terms of prototype learning rules. We focus in particular on a close variant of a recently proposed compression-based learning rule termed OptiNet. Beyond its computational merits, this rule has been recently shown to be universally consistent in any metric instance space that admits a universally consistent rule -- the first learning algorithm known to enjoy this property. However, its error and compression rates have been left open. Here we derive such rates in the case where instances reside in Euclidean space under commonly posed smoothness and tail conditions on the data distribution. We first show that OptiNet achieves non-trivial compression rates while enjoying near minimax-optimal error rates. We then proceed to study a novel general compression scheme for further compressing prototype rules that locally adapts to the noise level without sacrificing accuracy. Applying it to OptiNet, we show that under a geometric margin condition, further gain in the compression rate is achieved. Experimental results comparing the performance of the various methods are presented.

Shared-account Cross-domain Sequential Recommendation (SCSR) is an emerging yet challenging task that simultaneously considers the shared-account and cross-domain characteristics in the sequential recommendation. Existing works on SCSR are mainly based on Recurrent Neural Network (RNN) and Graph Neural Network (GNN) but they ignore the fact that although multiple users share a single account, it is mainly occupied by one user at a time. This observation motivates us to learn a more accurate user-specific account representation by attentively focusing on its recent behaviors. Furthermore, though existing works endow lower weights to irrelevant interactions, they may still dilute the domain information and impede the cross-domain recommendation. To address the above issues, we propose a reinforcement learning-based solution, namely RL-ISN, which consists of a basic cross-domain recommender and a reinforcement learning-based domain filter. Specifically, to model the account representation in the shared-account scenario, the basic recommender first clusters users' mixed behaviors as latent users, and then leverages an attention model over them to conduct user identification. To reduce the impact of irrelevant domain information, we formulate the domain filter as a hierarchical reinforcement learning task, where a high-level task is utilized to decide whether to revise the whole transferred sequence or not, and if it does, a low-level task is further performed to determine whether to remove each interaction within it or not. To evaluate the performance of our solution, we conduct extensive experiments on two real-world datasets, and the experimental results demonstrate the superiority of our RL-ISN method compared with the state-of-the-art recommendation methods.

Multi-task Gaussian process (MTGP) is a well-known non-parametric Bayesian model for learning correlated tasks effectively by transferring knowledge across tasks. But current MTGPs are usually limited to the multi-task scenario defined in the same input domain, leaving no space for tackling the heterogeneous case, i.e., the features of input domains vary over tasks. To this end, this paper presents a novel heterogeneous stochastic variational linear model of coregionalization (\texttt{HSVLMC}) model for simultaneously learning the tasks with varied input domains. Particularly, we develop the stochastic variational framework with Bayesian calibration that (i) takes into account the effect of dimensionality reduction raised by domain mappings in order to achieve effective input alignment; and (ii) employs a residual modeling strategy to leverage the inductive bias brought by prior domain mappings for better model inference. Finally, the superiority of the proposed model against existing LMC models has been extensively verified on diverse heterogeneous multi-task cases and a practical multi-fidelity steam turbine exhaust problem.

The outpouring of various pre-trained models empowers knowledge distillation~(KD) by providing abundant teacher resources. Meanwhile, exploring the massive model repository to select a suitable teacher and further extracting its knowledge become daunting challenges. Standard KD fails to surmount two obstacles when training a student with the availability of plentiful pre-trained teachers, i.e., the "faculty". First, we need to seek out the most contributive teacher in the faculty efficiently rather than enumerating all of them for a student. Second, since the teacher may be pre-trained on different tasks w.r.t. the student, we must distill the knowledge from a more general label space. This paper studies this ``faculty distillation'' where a student performs teacher assessment and generalized knowledge reuse. We take advantage of optimal transport to construct a unifying objective for both problems, which bridges the semantic gap and measures the relatedness between a pair of models. This objective can select the most relevant teacher, and we minimize the same objective over student parameters to transfer the knowledge from the selected teacher subsequently. Experiments in various settings demonstrate the succinctness and versatility of our proposed method.

Given a nonnegative matrix factorization, $R$, and a factorization rank, $r$, Exact nonnegative matrix factorization (Exact NMF) decomposes $R$ as the product of two nonnegative matrices, $C$ and $S$ with $r$ columns, such as $R = CS^\top$. A central research topic in the literature is the conditions under which such a decomposition is unique/identifiable, up to trivial ambiguities. In this paper, we focus on partial identifiability, that is, the uniqueness of a subset of columns of $C$ and $S$. We start our investigations with the data-based uniqueness (DBU) theorem from the chemometrics literature. The DBU theorem analyzes all feasible solutions of Exact NMF, and relies on sparsity conditions on $C$ and $S$. We provide a mathematically rigorous theorem of a recently published restricted version of the DBU theorem, relying only on simple sparsity and algebraic conditions: it applies to a particular solution of Exact NMF (as opposed to all feasible solutions) and allows us to guarantee the partial uniqueness of a single column of $C$ or $S$. Second, based on a geometric interpretation of the restricted DBU theorem, we obtain a new partial identifiability result. We prove it is stronger than the restricted DBU theorem, given that a proper preprocessing on the Exact NMF is used. This geometric interpretation also leads us to another partial identifiability result in the case $r=3$. Third, we show how partial identifiability results can be used sequentially to guarantee the identifiability of more columns of $C$ and $S$. We illustrate these results on several examples, including one from the chemometrics literature.

Incorporating symmetry as an inductive bias into neural network architecture has led to improvements in generalization, data efficiency, and physical consistency in dynamics modeling. Methods such as CNNs or equivariant neural networks use weight tying to enforce symmetries such as shift invariance or rotational equivariance. However, despite the fact that physical laws obey many symmetries, real-world dynamical data rarely conforms to strict mathematical symmetry either due to noisy or incomplete data or to symmetry breaking features in the underlying dynamical system. We explore approximately equivariant networks which are biased towards preserving symmetry but are not strictly constrained to do so. By relaxing equivariance constraints, we find that our models can outperform both baselines with no symmetry bias and baselines with overly strict symmetry in both simulated turbulence domains and real-world multi-stream jet flow.

Quantum computing is anticipated to offer immense computational capabilities which could provide efficient solutions to many data science problems. However, the current generation of quantum devices are small and noisy, which makes it difficult to process large data sets relevant for practical problems. Coreset selection aims to circumvent this problem by reducing the size of input data without compromising the accuracy. Recent work has shown that coreset selection can help to implement quantum K-Means clustering problem. However, the impact of coreset selection on the performance of quantum K-Means clustering has not been explored. In this work, we compare the relative performance of two coreset techniques (BFL16 and ONESHOT), and the size of coreset construction in each case, with respect to a variety of data sets and layout the advantages and limitations of coreset selection in implementing quantum algorithms. We also investigated the effect of depolarisation quantum noise and bit-flip error, and implemented the Quantum AutoEncoder technique for surpassing the noise effect. Our work provides useful insights for future implementation of data science algorithms on near-term quantum devices where problem size has been reduced by coreset selection.

Domain generalization methods aim to learn models robust to domain shift with data from a limited number of source domains and without access to target domain samples during training. Popular domain alignment methods for domain generalization seek to extract domain-invariant features by minimizing the discrepancy between feature distributions across all domains, disregarding inter-domain relationships. In this paper, we instead propose a novel representation learning methodology that selectively enforces prediction consistency between source domains estimated to be closely-related. Specifically, we hypothesize that domains share different class-informative representations, so instead of aligning all domains which can cause negative transfer, we only regularize the discrepancy between closely-related domains. We apply our method to time-series classification tasks and conduct comprehensive experiments on three public real-world datasets. Our method significantly improves over the baseline and achieves better or competitive performance in comparison with state-of-the-art methods in terms of both accuracy and model calibration.

In this paper, we deal with a general distributed constrained online learning problem with privacy over time-varying networks, where a class of nondecomposable objective functions are considered. Under this setting, each node only controls a part of the global decision variable, and the goal of all nodes is to collaboratively minimize the global objective over a time horizon $T$ while guarantees the security of the transmitted information. For such problems, we first design a novel generic algorithm framework, named as DPSDA, of differentially private distributed online learning using the Laplace mechanism and the stochastic variants of dual averaging method. Then, we propose two algorithms, named as DPSDA-C and DPSDA-PS, under this framework. Theoretical results show that both algorithms attain an expected regret upper bound in $\mathcal{O}( \sqrt{T} )$ when the objective function is convex, which matches the best utility achievable by cutting-edge algorithms. Finally, numerical experiment results on both real-world and randomly generated datasets verify the effectiveness of our algorithms.

The widespread adoption of Electric Vehicles (EVs) is limited by their reliance on batteries with presently low energy and power densities compared to liquid fuels and are subject to aging and performance deterioration over time. For this reason, monitoring the battery State Of Charge (SOC) and State Of Health (SOH) during the EV lifetime is a very relevant problem. This work proposes a battery digital twin structure designed to accurately reflect battery dynamics at the run time. To ensure a high degree of correctness concerning non-linear phenomena, the digital twin relies on data-driven models trained on traces of battery evolution over time: a SOH model, repeatedly executed to estimate the degradation of maximum battery capacity, and a SOC model, retrained periodically to reflect the impact of aging. The proposed digital twin structure will be exemplified on a public dataset to motivate its adoption and prove its effectiveness, with high accuracy and inference and retraining times compatible with onboard execution.

Inversion techniques are widely used to reconstruct subsurface physical properties (e.g., velocity, conductivity) from surface-based geophysical measurements (e.g., seismic, electric/magnetic (EM) data). The problems are governed by partial differential equations (PDEs) like the wave or Maxwell's equations. Solving geophysical inversion problems is challenging due to the ill-posedness and high computational cost. To alleviate those issues, recent studies leverage deep neural networks to learn the inversion mappings from measurements to the property directly. In this paper, we show that such a mapping can be well modeled by a very shallow (but not wide) network with only five layers. This is achieved based on our new finding of an intriguing property: a near-linear relationship between the input and output, after applying integral transform in high dimensional space. In particular, when dealing with the inversion from seismic data to subsurface velocity governed by a wave equation, the integral results of velocity with Gaussian kernels are linearly correlated to the integral of seismic data with sine kernels. Furthermore, this property can be easily turned into a light-weight encoder-decoder network for inversion. The encoder contains the integration of seismic data and the linear transformation without need for fine-tuning. The decoder only consists of a single transformer block to reverse the integral of velocity. Experiments show that this interesting property holds for two geophysics inversion problems over four different datasets. Compared to much deeper InversionNet, our method achieves comparable accuracy, but consumes significantly fewer parameters.

User evaluations include a significant quantity of information across online platforms. This information source has been neglected by the majority of existing recommendation systems, despite its potential to ease the sparsity issue and enhance the quality of suggestions. This work presents a deep model for concurrently learning item attributes and user behaviour from review text. Deep Cooperative Neural Network (DeepCoNN) is the suggested model consisting of two parallel neural networks connected in their final layers. One of the networks focuses on learning user behaviour from reviews submitted by the user, while the other network learns item attributes from user reviews. On top, a shared layer is added to connect these two networks. Similar to factorization machine approaches, the shared layer allows latent factors acquired for people and things to interact with each other. On a number of datasets, DeepCoNN surpasses all baseline recommendation systems, according to experimental findings.

Differential Privacy (DP) provides a formal privacy guarantee preventing adversaries with access to a machine learning model from extracting information about individual training points. Differentially Private Stochastic Gradient Descent (DP-SGD), the most popular DP training method for deep learning, realizes this protection by injecting noise during training. However previous works have found that DP-SGD often leads to a significant degradation in performance on standard image classification benchmarks. Furthermore, some authors have postulated that DP-SGD inherently performs poorly on large models, since the norm of the noise required to preserve privacy is proportional to the model dimension. In contrast, we demonstrate that DP-SGD on over-parameterized models can perform significantly better than previously thought. Combining careful hyper-parameter tuning with simple techniques to ensure signal propagation and improve the convergence rate, we obtain a new SOTA without extra data on CIFAR-10 of 81.4% under (8, 10^{-5})-DP using a 40-layer Wide-ResNet, improving over the previous SOTA of 71.7%. When fine-tuning a pre-trained NFNet-F3, we achieve a remarkable 83.8% top-1 accuracy on ImageNet under (0.5, 8*10^{-7})-DP. Additionally, we also achieve 86.7% top-1 accuracy under (8, 8 \cdot 10^{-7})-DP, which is just 4.3% below the current non-private SOTA for this task. We believe our results are a significant step towards closing the accuracy gap between private and non-private image classification.

Class-incremental learning (CIL) suffers from the notorious dilemma between learning newly added classes and preserving previously learned class knowledge. That catastrophic forgetting issue could be mitigated by storing historical data for replay, which yet would cause memory overheads as well as imbalanced prediction updates. To address this dilemma, we propose to leverage "free" external unlabeled data querying in continual learning. We first present a CIL with Queried Unlabeled Data (CIL-QUD) scheme, where we only store a handful of past training samples as anchors and use them to query relevant unlabeled examples each time. Along with new and past stored data, the queried unlabeled are effectively utilized, through learning-without-forgetting (LwF) regularizers and class-balance training. Besides preserving model generalization over past and current tasks, we next study the problem of adversarial robustness for CIL-QUD. Inspired by the recent success of learning robust models with unlabeled data, we explore a new robustness-aware CIL setting, where the learned adversarial robustness has to resist forgetting and be transferred as new tasks come in continually. While existing options easily fail, we show queried unlabeled data can continue to benefit, and seamlessly extend CIL-QUD into its robustified versions, RCIL-QUD. Extensive experiments demonstrate that CIL-QUD achieves substantial accuracy gains on CIFAR-10 and CIFAR-100, compared to previous state-of-the-art CIL approaches. Moreover, RCIL-QUD establishes the first strong milestone for robustness-aware CIL. Codes are available in https://github.com/VITA-Group/CIL-QUD.

We present a method to learn automaton models that are more robust to input modifications. It iteratively aligns sequences to a learned model, modifies the sequences to their aligned versions, and re-learns the model. Automaton learning algorithms are typically very good at modeling the frequent behavior of a software system. Our solution can be used to also learn the behavior present in infrequent sequences, as these will be aligned to the frequent ones represented by the model. We apply our method to the SAGE tool for modeling attacker behavior from intrusion alerts. In experiments, we demonstrate that our algorithm learns models that can handle noise such as added and removed symbols from sequences. Furthermore, it learns more concise models that fit better to the training data.

Recent works have shown that modern machine learning techniques can provide an alternative approach to the long-standing joint source-channel coding (JSCC) problem. Very promising initial results, superior to popular digital schemes that utilize separate source and channel codes, have been demonstrated for wireless image and video transmission using deep neural networks (DNNs). However, end-to-end training of such schemes requires a differentiable channel input representation; hence, prior works have assumed that any complex value can be transmitted over the channel. This can prevent the application of these codes in scenarios where the hardware or protocol can only admit certain sets of channel inputs, prescribed by a digital constellation. Herein, we propose DeepJSCC-Q, an end-to-end optimized JSCC solution for wireless image transmission using a finite channel input alphabet. We show that DeepJSCC-Q can achieve similar performance to prior works that allow any complex valued channel input, especially when high modulation orders are available, and that the performance asymptotically approaches that of unconstrained channel input as the modulation order increases. Importantly, DeepJSCC-Q preserves the graceful degradation of image quality in unpredictable channel conditions, a desirable property for deployment in mobile systems with rapidly changing channel conditions.

Although deep neural networks are capable of achieving performance superior to humans on various tasks, they are notorious for requiring large amounts of data and computing resources, restricting their success to domains where such resources are available. Metalearning methods can address this problem by transferring knowledge from related tasks, thus reducing the amount of data and computing resources needed to learn new tasks. We organize the MetaDL competition series, which provide opportunities for research groups all over the world to create and experimentally assess new meta-(deep)learning solutions for real problems. In this paper, authored collaboratively between the competition organizers and the top-ranked participants, we describe the design of the competition, the datasets, the best experimental results, as well as the top-ranked methods in the NeurIPS 2021 challenge, which attracted 15 active teams who made it to the final phase (by outperforming the baseline), making over 100 code submissions during the feedback phase. The solutions of the top participants have been open-sourced. The lessons learned include that learning good representations is essential for effective transfer learning.

Recent years have witnessed remarkable success achieved by graph neural networks (GNNs) in many real-world applications such as recommendation and drug discovery. Despite the success, oversmoothing has been identified as one of the key issues which limit the performance of deep GNNs. It indicates that the learned node representations are highly indistinguishable due to the stacked aggregators. In this paper, we propose a new perspective to look at the performance degradation of deep GNNs, i.e., feature overcorrelation. Through empirical and theoretical study on this matter, we demonstrate the existence of feature overcorrelation in deeper GNNs and reveal potential reasons leading to this issue. To reduce the feature correlation, we propose a general framework DeCorr which can encourage GNNs to encode less redundant information. Extensive experiments have demonstrated that DeCorr can help enable deeper GNNs and is complementary to existing techniques tackling the oversmoothing issue.

Despite the success of invariant risk minimization (IRM) in tackling the Out-of-Distribution generalization problem, IRM can compromise the optimality when applied in practice. The practical variants of IRM, e.g., IRMv1, have been shown to have significant gaps with IRM and thus could fail to capture the invariance even in simple problems. Moreover, the optimization procedure in IRMv1 involves two intrinsically conflicting objectives, and often requires careful tuning for the objective weights. To remedy the above issues, we reformulate IRM as a multi-objective optimization problem, and propose a new optimization scheme for IRM, called PAreto Invariant Risk Minimization (PAIR). PAIR can adaptively adjust the optimization direction under the objective conflicts. Furthermore, we show PAIR can empower the practical IRM variants to overcome the barriers with the original IRM when provided with proper guidance. We conduct experiments with ColoredMNIST to confirm our theory and the effectiveness of PAIR.

Wasserstein Generative Adversarial Networks (WGANs) are the popular generative models built on the theory of Optimal Transport (OT) and the Kantorovich duality. Despite the success of WGANs, it is still unclear how well the underlying OT dual solvers approximate the OT cost (Wasserstein-1 distance, $\mathbb{W}_{1}$) and the OT gradient needed to update the generator. In this paper, we address these questions. We construct 1-Lipschitz functions and use them to build ray monotone transport plans. This strategy yields pairs of continuous benchmark distributions with the analytically known OT plan, OT cost and OT gradient in high-dimensional spaces such as spaces of images. We thoroughly evaluate popular WGAN dual form solvers (gradient penalty, spectral normalization, entropic regularization, etc.) using these benchmark pairs. Even though these solvers perform well in WGANs, none of them faithfully compute $\mathbb{W}_{1}$ in high dimensions. Nevertheless, many provide a meaningful approximation of the OT gradient. These observations suggest that these solvers should not be treated as good estimators of $\mathbb{W}_{1}$, but to some extent they indeed can be used in variational problems requiring the minimization of $\mathbb{W}_{1}$.

As training deep learning models on large dataset takes a lot of time and resources, it is desired to construct a small synthetic dataset with which we can train deep learning models sufficiently. There are recent works that have explored solutions on condensing image datasets through complex bi-level optimization. For instance, dataset condensation (DC) matches network gradients w.r.t. large-real data and small-synthetic data, where the network weights are optimized for multiple steps at each outer iteration. However, existing approaches have their inherent limitations: (1) they are not directly applicable to graphs where the data is discrete; and (2) the condensation process is computationally expensive due to the involved nested optimization. To bridge the gap, we investigate efficient dataset condensation tailored for graph datasets where we model the discrete graph structure as a probabilistic model. We further propose a one-step gradient matching scheme, which performs gradient matching for only one single step without training the network weights. Our theoretical analysis shows this strategy can generate synthetic graphs that lead to lower classification loss on real graphs. Extensive experiments on various graph datasets demonstrate the effectiveness and efficiency of the proposed method. In particular, we are able to reduce the dataset size by 90% while approximating up to 98% of the original performance and our method is significantly faster than multi-step gradient matching (e.g. 15x in CIFAR10 for synthesizing 500 graphs).

The visual world can be parsimoniously characterized in terms of distinct entities with sparse interactions. Discovering this compositional structure in dynamic visual scenes has proven challenging for end-to-end computer vision approaches unless explicit instance-level supervision is provided. Slot-based models leveraging motion cues have recently shown great promise in learning to represent, segment, and track objects without direct supervision, but they still fail to scale to complex real-world multi-object videos. In an effort to bridge this gap, we take inspiration from human development and hypothesize that information about scene geometry in the form of depth signals can facilitate object-centric learning. We introduce SAVi++, an object-centric video model which is trained to predict depth signals from a slot-based video representation. By further leveraging best practices for model scaling, we are able to train SAVi++ to segment complex dynamic scenes recorded with moving cameras, containing both static and moving objects of diverse appearance on naturalistic backgrounds, without the need for segmentation supervision. Finally, we demonstrate that by using sparse depth signals obtained from LiDAR, SAVi++ is able to learn emergent object segmentation and tracking from videos in the real-world Waymo Open dataset.

Understanding to what extent neural networks memorize training data is an intriguing question with practical and theoretical implications. In this paper we show that in some cases a significant fraction of the training data can in fact be reconstructed from the parameters of a trained neural network classifier. We propose a novel reconstruction scheme that stems from recent theoretical results about the implicit bias in training neural networks with gradient-based methods. To the best of our knowledge, our results are the first to show that reconstructing a large portion of the actual training samples from a trained neural network classifier is generally possible. This has negative implications on privacy, as it can be used as an attack for revealing sensitive training data. We demonstrate our method for binary MLP classifiers on a few standard computer vision datasets.

To be successful in single source domain generalization, maximizing diversity of synthesized domains has emerged as one of the most effective strategies. Many of the recent successes have come from methods that pre-specify the types of diversity that a model is exposed to during training, so that it can ultimately generalize well to new domains. However, na\"ive diversity based augmentations do not work effectively for domain generalization either because they cannot model large domain shift, or because the span of transforms that are pre-specified do not cover the types of shift commonly occurring in domain generalization. To address this issue, we present a novel framework that uses adversarially learned transformations (ALT) using a neural network to model plausible, yet hard image transformations that fool the classifier. This network is randomly initialized for each batch and trained for a fixed number of steps to maximize classification error. Further, we enforce consistency between the classifier's predictions on the clean and transformed images. With extensive empirical analysis, we find that this new form of adversarial transformations achieve both objectives of diversity and hardness simultaneously, outperforming all existing techniques on competitive benchmarks for single source domain generalization. We also show that ALT can naturally work with existing diversity modules to produce highly distinct, and large transformations of the source domain leading to state-of-the-art performance.

Among the various approaches for producing point distributions with blue noise spectrum, we argue for an optimization framework using Gaussian kernels. We show that with a wise selection of optimization parameters, this approach attains unprecedented quality, provably surpassing the current state of the art attained by the optimal transport (BNOT) approach. Further, we show that our algorithm scales smoothly and feasibly to high dimensions while maintaining the same quality, realizing unprecedented high-quality high-dimensional blue noise sets. Finally, we show an extension to adaptive sampling.

Though the state-of-the architectures for semantic segmentation, such as HRNet, demonstrate impressive accuracy, the complexity arising from their salient design choices hinders a range of model acceleration tools, and further they make use of operations that are inefficient on current hardware. This paper demonstrates that a simple encoder-decoder architecture with a ResNet-like backbone and a small multi-scale head, performs on-par or better than complex semantic segmentation architectures such as HRNet, FANet and DDRNets. Naively applying deep backbones designed for Image Classification to the task of Semantic Segmentation leads to sub-par results, owing to a much smaller effective receptive field of these backbones. Implicit among the various design choices put forth in works like HRNet, DDRNet, and FANet are networks with a large effective receptive field. It is natural to ask if a simple encoder-decoder architecture would compare favorably if comprised of backbones that have a larger effective receptive field, though without the use of inefficient operations like dilated convolutions. We show that with minor and inexpensive modifications to ResNets, enlarging the receptive field, very simple and competitive baselines can be created for Semantic Segmentation. We present a family of such simple architectures for desktop as well as mobile targets, which match or exceed the performance of complex models on the Cityscapes dataset. We hope that our work provides simple yet effective baselines for practitioners to develop efficient semantic segmentation models.

Modeling long-term dependencies for audio signals is a particularly challenging problem, as even small-time scales yield on the order of a hundred thousand samples. With the recent advent of Transformers, neural architectures became good at modeling dependencies over longer time scales, but they suffered from quadratic constraints to scale them. We propose a generative auto-regressive architecture that can model audio waveforms over quite a large context, greater than 500,000 samples. Our work is adapted to learn time dependencies by learning a latent representation by a CNN front-end, and then learning dependencies over these representations using Transformer encoders, fully trained end-to-end: thereby allowing to learn representations as it deems fit for the next sample. Unlike previous works that compared different time scales to show improvement, we use a standard dataset, with the same number of parameters/context to show improvements. We achieve a state-of-the-art performance as compared to other approaches such as Wavenet, SaSHMI, and Sample-RNN on a standard dataset for modeling long-term structure. This work gives very exciting direction for the field, given improvements in context modeling that can be scaled with more data, as well as potentially better results by using billions/trillions of parameters.

Active learning (AL) is a promising ML paradigm that has the potential to parse through large unlabeled data and help reduce annotation cost in domains where labeling data can be prohibitive. Recently proposed neural network based AL methods use different heuristics to accomplish this goal. In this study, we demonstrate that under identical experimental settings, different types of AL algorithms (uncertainty based, diversity based, and committee based) produce an inconsistent gain over random sampling baseline. Through a variety of experiments, controlling for sources of stochasticity, we show that variance in performance metrics achieved by AL algorithms can lead to results that are not consistent with the previously reported results. We also found that under strong regularization, AL methods show marginal or no advantage over the random sampling baseline under a variety of experimental conditions. Finally, we conclude with a set of recommendations on how to assess the results using a new AL algorithm to ensure results are reproducible and robust under changes in experimental conditions. We share our codes to facilitate AL evaluations. We believe our findings and recommendations will help advance reproducible research in AL using neural networks. We open source our code at https://github.com/PrateekMunjal/TorchAL

We propose Compressed Vertical Federated Learning (C-VFL) for communication-efficient training on vertically partitioned data. In C-VFL, a server and multiple parties collaboratively train a model on their respective features utilizing several local iterations and sharing compressed intermediate results periodically. Our work provides the first theoretical analysis of the effect message compression has on distributed training over vertically partitioned data. We prove convergence of non-convex objectives at a rate of $O(\frac{1}{\sqrt{T}})$ when the compression error is bounded over the course of training. We provide specific requirements for convergence with common compression techniques, such as quantization and top-$k$ sparsification. Finally, we experimentally show compression can reduce communication by over $90\%$ without a significant decrease in accuracy over VFL without compression.

Deep learning approaches have provided state-of-the-art performance in many applications by relying on extremely large and heavily overparameterized neural networks. However, such networks have been shown to be very brittle, not generalize well to new uses cases, and are often difficult if not impossible to deploy on resources limited platforms. Model pruning, i.e., reducing the size of the network, is a widely adopted strategy that can lead to more robust and generalizable network -- usually orders of magnitude smaller with the same or even improved performance. While there exist many heuristics for model pruning, our understanding of the pruning process remains limited. Empirical studies show that some heuristics improve performance while others can make models more brittle or have other side effects. This work aims to shed light on how different pruning methods alter the network's internal feature representation, and the corresponding impact on model performance. To provide a meaningful comparison and characterization of model feature space, we use three geometric metrics that are decomposed from the common adopted classification loss. With these metrics, we design a visualization system to highlight the impact of pruning on model prediction as well as the latent feature embedding. The proposed tool provides an environment for exploring and studying differences among pruning methods and between pruned and original model. By leveraging our visualization, the ML researchers can not only identify samples that are fragile to model pruning and data corruption but also obtain insights and explanations on how some pruned models achieve superior robustness performance.

Improper health insurance payments resulting from fraud and upcoding result in tens of billions of dollars in excess health care costs annually in the United States, motivating machine learning researchers to build anomaly detection models for health insurance claims. This article describes two such strategies specifically for ER claims. The first is an upcoding model based on severity code distributions, stratified by hierarchical diagnosis code clusters. A statistically significant difference in mean upcoding anomaly scores is observed between free-standing ERs and acute care hospitals, with free-standing ERs being more anomalous. The second model is a random forest that minimizes improper payments by optimally sorting ER claims within review queues. Depending on the percentage of claims reviewed, the random forest saved 12% to 40% above a baseline approach that prioritized claims by billed amount.

One of the important problems in federated learning is how to deal with unbalanced data. This contribution introduces a novel technique designed to deal with label skewed non-IID data, using adversarial inputs, created by the I-FGSM method. Adversarial inputs guide the training process and allow the Weighted Federated Averaging to give more importance to clients with 'selected' local label distributions. Experimental results, gathered from image classification tasks, for MNIST and CIFAR-10 datasets, are reported and analyzed.

The Lottery Ticket Hypothesis (LTH) states that for a reasonably sized neural network, a sub-network within the same network yields no less performance than the dense counterpart when trained from the same initialization. This work investigates the relation between model size and the ease of finding these sparse sub-networks. We show through experiments that, surprisingly, under a finite budget, smaller models benefit more from Ticket Search (TS).

An optical microscopic examination of thinly cut stained tissue on glass slides prepared from a FFPE tissue blocks is the gold standard for tissue diagnostics. In addition, the diagnostic abilities and expertise of any pathologist is dependent on their direct experience with common as well as rarer variant morphologies. Recently, deep learning approaches have been used to successfully show a high level of accuracy for such tasks. However, obtaining expert-level annotated images is an expensive and time-consuming task and artificially synthesized histological images can prove greatly beneficial. Here, we present an approach to not only generate histological images that reproduce the diagnostic morphologic features of common disease but also provide a user ability to generate new and rare morphologies. Our approach involves developing a generative adversarial network model that synthesizes pathology images constrained by class labels. We investigated the ability of this framework in synthesizing realistic prostate and colon tissue images and assessed the utility of these images in augmenting diagnostic ability of machine learning methods as well as their usability by a panel of experienced anatomic pathologists. Synthetic data generated by our framework performed similar to real data in training a deep learning model for diagnosis. Pathologists were not able to distinguish between real and synthetic images and showed a similar level of inter-observer agreement for prostate cancer grading. We extended the approach to significantly more complex images from colon biopsies and showed that the complex microenvironment in such tissues can also be reproduced. Finally, we present the ability for a user to generate deepfake histological images via a simple markup of sematic labels.

This paper considers a market for Internet of Things (IoT) data that is used to train machine learning models. The data is supplied to the market platform through a network and the price of the data is controlled based on the value it brings to the machine learning model. We explore the correlation property of data in a game-theoretical setting to eventually derive a simplified distributed solution for a data trading mechanism that emphasizes the mutual benefit of devices and the market. The key proposal is an efficient algorithm for markets that jointly addresses the challenges of availability and heterogeneity in participation, as well as the transfer of trust and the economic value of data exchange in IoT networks. The proposed approach establishes the data market by reinforcing collaboration opportunities between devices with correlated data to avoid information leakage. Therein, we develop a network-wide optimization problem that maximizes the social value of coalition among the IoT devices of similar data types; at the same time, it minimizes the cost due to network externalities, i.e., the impact of information leakage due to data correlation, as well as the opportunity costs. Finally, we reveal the structure of the formulated problem as a distributed coalition game and solve it following the simplified split-and-merge algorithm. Simulation results show the efficacy of our proposed mechanism design toward a trusted IoT data market, with up to 32.72% gain in the average payoff for each seller.

Data-driven algorithms can adapt their internal structure or parameters to inputs from unknown application-specific distributions, by learning from a training sample of inputs. Several recent works have applied this approach to problems in numerical linear algebra, obtaining significant empirical gains in performance. However, no theoretical explanation for their success was known. In this work we prove generalization bounds for those algorithms, within the PAC-learning framework for data-driven algorithm selection proposed by Gupta and Roughgarden (SICOMP 2017). Our main results are closely matching upper and lower bounds on the fat shattering dimension of the learning-based low rank approximation algorithm of Indyk et al.~(NeurIPS 2019). Our techniques are general, and provide generalization bounds for many other recently proposed data-driven algorithms in numerical linear algebra, covering both sketching-based and multigrid-based methods. This considerably broadens the class of data-driven algorithms for which a PAC-learning analysis is available.

A major challenge in modern machine learning is theoretically understanding the generalization properties of overparameterized models. Many existing tools rely on \em uniform convergence \em (UC), a property that, when it holds, guarantees that the test loss will be close to the training loss, uniformly over a class of candidate models. Nagarajan and Kolter (2019) show that in certain simple linear and neural-network settings, any uniform convergence bound will be vacuous, leaving open the question of how to prove generalization in settings where UC fails. Our main contribution is proving novel generalization bounds in two such settings, one linear, and one non-linear. We study the linear classification setting of Nagarajan and Kolter, and a quadratic ground truth function learned via a two-layer neural network in the non-linear regime. We prove a new type of margin bound showing that above a certain signal-to-noise threshold, any near-max-margin classifier will achieve almost no test loss in these two settings. Our results show that near-max-margin is important: while any model that achieves at least a $(1 - \epsilon)$-fraction of the max-margin generalizes well, a classifier achieving half of the max-margin may fail terribly. We additionally strengthen the UC impossibility results of Nagarajan and Kolter, proving that \em one-sided \em UC bounds and classical margin bounds will fail on near-max-margin classifiers. Our analysis provides insight on why memorization can coexist with generalization: we show that in this challenging regime where generalization occurs but UC fails, near-max-margin classifiers simultaneously contain some generalizable components and some overfitting components that memorize the data. The presence of the overfitting components is enough to preclude UC, but the near-extremal margin guarantees that sufficient generalizable components are present.

Speech generation and enhancement based on articulatory movements facilitate communication when the scope of verbal communication is absent, e.g., in patients who have lost the ability to speak. Although various techniques have been proposed to this end, electropalatography (EPG), which is a monitoring technique that records contact between the tongue and hard palate during speech, has not been adequately explored. Herein, we propose a novel multimodal EPG-to-speech (EPG2S) system that utilizes EPG and speech signals for speech generation and enhancement. Different fusion strategies based on multiple combinations of EPG and noisy speech signals are examined, and the viability of the proposed method is investigated. Experimental results indicate that EPG2S achieves desirable speech generation outcomes based solely on EPG signals. Further, the addition of noisy speech signals is observed to improve quality and intelligibility. Additionally, EPG2S is observed to achieve high-quality speech enhancement based solely on audio signals, with the addition of EPG signals further improving the performance. The late fusion strategy is deemed to be the most effective approach for simultaneous speech generation and enhancement.

Causal bandit problem integrates causal inference with multi-armed bandits. The pure exploration of causal bandits is the following online learning task: given a causal graph with unknown causal inference distributions, in each round we can choose to either intervene one variable or do no intervention, and observe the random outcomes of all random variables, with the goal that using as few rounds as possible, we can output an intervention that gives the best (or almost best) expected outcome on the reward variable $Y$ with probability at least $1-\delta$, where $\delta$ is a given confidence level. We provide first gap-dependent fully adaptive pure exploration algorithms on three types of causal models including parallel graphs, general graphs with small number of backdoor parents, and binary generalized linear models. Our algorithms improve both prior causal bandit algorithms, which are not adaptive to reward gaps, and prior adaptive pure exploration algorithms, which do not utilize the special features of causal bandits.

When building either prediction intervals for regression (with real-valued response) or prediction sets for classification (with categorical responses), uncertainty quantification is essential to studying complex machine learning methods. In this paper, we develop Ensemble Regularized Adaptive Prediction Set (ERAPS) to construct prediction sets for time-series (with categorical responses), based on the prior work of [Xu and Xie, 2021]. In particular, we allow unknown dependencies to exist within features and responses that arrive in sequence. Method-wise, ERAPS is a distribution-free and ensemble-based framework that is applicable for arbitrary classifiers. Theoretically, we bound the coverage gap without assuming data exchangeability and show asymptotic set convergence. Empirically, we demonstrate valid marginal and conditional coverage by ERAPS, which also tends to yield smaller prediction sets than competing methods.

Designed for tracking user goals in dialogues, a dialogue state tracker is an essential component in a dialogue system. However, the research of dialogue state tracking has largely been limited to unimodality, in which slots and slot values are limited by knowledge domains (e.g. restaurant domain with slots of restaurant name and price range) and are defined by specific database schema. In this paper, we propose to extend the definition of dialogue state tracking to multimodality. Specifically, we introduce a novel dialogue state tracking task to track the information of visual objects that are mentioned in video-grounded dialogues. Each new dialogue utterance may introduce a new video segment, new visual objects, or new object attributes, and a state tracker is required to update these information slots accordingly. We created a new synthetic benchmark and designed a novel baseline, Video-Dialogue Transformer Network (VDTN), for this task. VDTN combines both object-level features and segment-level features and learns contextual dependencies between videos and dialogues to generate multimodal dialogue states. We optimized VDTN for a state generation task as well as a self-supervised video understanding task which recovers video segment or object representations. Finally, we trained VDTN to use the decoded states in a response prediction task. Together with comprehensive ablation and qualitative analysis, we discovered interesting insights towards building more capable multimodal dialogue systems.

Discovering and parameterising latent confounders represent important and challenging problems in causal structure learning and density estimation respectively. In this paper, we focus on both discovering and learning the distribution of latent confounders. This task requires solutions that come from different areas of statistics and machine learning. We combine elements of variational Bayesian methods, expectation-maximisation, hill-climbing search, and structure learning under the assumption of causal insufficiency. We propose two learning strategies; one that maximises model selection accuracy, and another that improves computational efficiency in exchange for minor reductions in accuracy. The former strategy is suitable for small networks and the latter for moderate size networks. Both learning strategies perform well relative to existing solutions.

Shear stress history controls the pore pressure response in liquefiable soils. The excess pore pressure does not increase under cyclic loading when shear stress amplitude is lower than the peak prior amplitude -- the shielding effect. Many sophisticated constitutive models fail to capture the shielding effect observed in the cyclic liquefaction experiments. We develop a data-driven machine learning model based on the LSTM neural network to capture the liquefaction response of soils under cyclic loading. The LSTM model is trained on 12 laboratory cyclic simple shear tests on Nevada sand in loose and dense conditions subjected to different cyclic simple shear loading conditions. The LSTM model features include the relative density of soil and the previous stress history to predict the pore water pressure response. The LSTM model successfully replicates the pore pressure response for three cyclic simple test results considering the shielding and density effects.

We consider an online stochastic game with risk-averse agents whose goal is to learn optimal decisions that minimize the risk of incurring significantly high costs. Specifically, we use the Conditional Value at Risk (CVaR) as a risk measure that the agents can estimate using bandit feedback in the form of the cost values of only their selected actions. Since the distributions of the cost functions depend on the actions of all agents that are generally unobservable, they are themselves unknown and, therefore, the CVaR values of the costs are difficult to compute. To address this challenge, we propose a new online risk-averse learning algorithm that relies on one-point zeroth-order estimation of the CVaR gradients computed using CVaR values that are estimated by appropriately sampling the cost functions. We show that this algorithm achieves sub-linear regret with high probability. We also propose two variants of this algorithm that improve performance. The first variant relies on a new sampling strategy that uses samples from the previous iteration to improve the estimation accuracy of the CVaR values. The second variant employs residual feedback that uses CVaR values from the previous iteration to reduce the variance of the CVaR gradient estimates. We theoretically analyze the convergence properties of these variants and illustrate their performance on an online market problem that we model as a Cournot game.  ( 2 min )

Understanding how feature learning affects generalization is among the foremost goals of modern deep learning theory. Here, we study how the ability to learn representations affects the generalization performance of a simple class of models: deep Bayesian linear neural networks trained on unstructured Gaussian data. By comparing deep random feature models to deep networks in which all layers are trained, we provide a detailed characterization of the interplay between width, depth, data density, and prior mismatch. We show that both models display sample-wise double-descent behavior in the presence of label noise. Random feature models can also display model-wise double-descent if there are narrow bottleneck layers, while deep networks do not show these divergences. Random feature models can have particular widths that are optimal for generalization at a given data density, while making neural networks as wide or as narrow as possible is always optimal. Moreover, we show that the leading-order correction to the kernel-limit learning curve cannot distinguish between random feature models and deep networks in which all layers are trained. Taken together, our findings begin to elucidate how architectural details affect generalization performance in this simple class of deep regression models.  ( 2 min )

Domain generalization aims to improve the generalization capability of machine learning systems to out-of-distribution (OOD) data. Existing domain generalization techniques embark upon stationary and discrete environments to tackle the generalization issue caused by OOD data. However, many real-world tasks in non-stationary environments (e.g. self-driven car system, sensor measures) involve more complex and continuously evolving domain drift, which raises new challenges for the problem of domain generalization. In this paper, we formulate the aforementioned setting as the problem of evolving domain generalization. Specifically, we propose to introduce a probabilistic framework called Latent Structure-aware Sequential Autoencoder (LSSAE) to tackle the problem of evolving domain generalization via exploring the underlying continuous structure in the latent space of deep neural networks, where we aim to identify two major factors namely covariate shift and concept shift accounting for distribution shift in non-stationary environments. Experimental results on both synthetic and real-world datasets show that LSSAE can lead to superior performances based on the evolving domain generalization setting.  ( 2 min )

We study the global convergence of policy gradient for infinite-horizon, continuous state and action space, and entropy-regularized Markov decision processes (MDPs). We consider a softmax policy with (one-hidden layer) neural network approximation in a mean-field regime. Additional entropic regularization in the associated mean-field probability measure is added, and the corresponding gradient flow is studied in the 2-Wasserstein metric. We show that the objective function is increasing along the gradient flow. Further, we prove that if the regularization in terms of the mean-field measure is sufficient, the gradient flow converges exponentially fast to the unique stationary solution, which is the unique maximizer of the regularized MDP objective. Lastly, we study the sensitivity of the value function along the gradient flow with respect to regularization parameters and the initial condition. Our results rely on the careful analysis of the non-linear Fokker-Planck-Kolmogorov equation and extend the pioneering work of Mei et al. 2020 and Agarwal et al. 2020, which quantify the global convergence rate of policy gradient for entropy-regularized MDPs in the tabular setting.  ( 2 min )

The recently developed matrix based Renyi's entropy enables measurement of information in data simply using the eigenspectrum of symmetric positive semi definite (PSD) matrices in reproducing kernel Hilbert space, without estimation of the underlying data distribution. This intriguing property makes the new information measurement widely adopted in multiple statistical inference and learning tasks. However, the computation of such quantity involves the trace operator on a PSD matrix $G$ to power $\alpha$(i.e., $tr(G^\alpha)$), with a normal complexity of nearly $O(n^3)$, which severely hampers its practical usage when the number of samples (i.e., $n$) is large. In this work, we present computationally efficient approximations to this new entropy functional that can reduce its complexity to even significantly less than $O(n^2)$. To this end, we leverage the recent progress on Randomized Numerical Linear Algebra, developing Taylor, Chebyshev and Lanczos approximations to $tr(G^\alpha)$ for arbitrary values of $\alpha$ by converting it into matrix-vector multiplications problem. We also establish the connection between the matrix-based Renyi's entropy and PSD matrix approximation, which enables exploiting both clustering and block low-rank structure of $G$ to further reduce the computational cost. We theoretically provide approximation accuracy guarantees and illustrate the properties of different approximations. Large-scale experimental evaluations on both synthetic and real-world data corroborate our theoretical findings, showing promising speedup with negligible loss in accuracy.  ( 2 min )

Image segmentation is about grouping pixels with different semantics, e.g., category or instance membership, where each choice of semantics defines a task. While only the semantics of each task differ, current research focuses on designing specialized architectures for each task. We present Masked-attention Mask Transformer (Mask2Former), a new architecture capable of addressing any image segmentation task (panoptic, instance or semantic). Its key components include masked attention, which extracts localized features by constraining cross-attention within predicted mask regions. In addition to reducing the research effort by at least three times, it outperforms the best specialized architectures by a significant margin on four popular datasets. Most notably, Mask2Former sets a new state-of-the-art for panoptic segmentation (57.8 PQ on COCO), instance segmentation (50.1 AP on COCO) and semantic segmentation (57.7 mIoU on ADE20K).  ( 2 min )

We propose a new conditional dependence measure and a statistical test for conditional independence. The measure is based on the difference between analytic kernel embeddings of two well-suited distributions evaluated at a finite set of locations. We obtain its asymptotic distribution under the null hypothesis of conditional independence and design a consistent statistical test from it. We conduct a series of experiments showing that our new test outperforms state-of-the-art methods both in terms of type-I and type-II errors even in the high dimensional setting.  ( 2 min )

Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret a pre-trained model (graph neural network models in particular). They argue against inherently interpretable models because good interpretation of these models is often at the cost of their prediction accuracy. And, the widely used attention mechanism for inherent interpretation often fails to provide faithful interpretation in graph learning tasks. In this work, we address both issues by proposing Graph Stochastic Attention (GSAT), an attention mechanism derived from the information bottleneck principle. GSAT leverages stochastic attention to block the information from the task-irrelevant graph components while learning stochasticity-reduced attention to select the task-relevant subgraphs for interpretation. GSAT can also apply to fine-tuning and interpreting pre-trained models via stochastic attention mechanism. Extensive experiments on eight datasets show that GSAT outperforms the state-of-the-art methods by up to 20%$\uparrow$ in interpretation AUC and 5%$\uparrow$ in prediction accuracy.  ( 2 min )

The trade-off between robustness and accuracy has been widely studied in the adversarial literature. Although still controversial, the prevailing view is that this trade-off is inherent, either empirically or theoretically. Thus, we dig for the origin of this trade-off in adversarial training and find that it may stem from the improperly defined robust error, which imposes an inductive bias of local invariance -- an overcorrection towards smoothness. Given this, we advocate employing local equivariance to describe the ideal behavior of a robust model, leading to a self-consistent robust error named SCORE. By definition, SCORE facilitates the reconciliation between robustness and accuracy, while still handling the worst-case uncertainty via robust optimization. By simply substituting KL divergence with variants of distance metrics, SCORE can be efficiently minimized. Empirically, our models achieve top-rank performance on RobustBench under AutoAttack. Besides, SCORE provides instructive insights for explaining the overfitting phenomenon and semantic input gradients observed on robust models. Code is available at https://github.com/P2333/SCORE.  ( 2 min )

Situation-aware technologies enabled by multiobject tracking (MOT) methods will create new services and applications in fields such as autonomous navigation and applied ocean sciences. Belief propagation (BP) is a state-of-the-art method for Bayesian MOT but fully relies on a statistical model and preprocessed sensor measurements. In this paper, we establish a hybrid method for model-based and data-driven MOT. The proposed neural enhanced belief propagation (NEBP) approach complements BP by information learned from raw sensor data with the goal to improve data association and to reject false alarm measurements. We evaluate the performance of our NEBP approach for MOT on the nuScenes autonomous driving dataset and demonstrate that it can outperform state-of-the-art reference methods.  ( 2 min )

Deep reinforcement learning has gathered much attention recently. Impressive results were achieved in activities as diverse as autonomous driving, game playing, molecular recombination, and robotics. In all these fields, computer programs have taught themselves to solve difficult problems. They have learned to fly model helicopters and perform aerobatic manoeuvers such as loops and rolls. In some applications they have even become better than the best humans, such as in Atari, Go, poker and StarCraft. The way in which deep reinforcement learning explores complex environments reminds us of how children learn, by playfully trying out things, getting feedback, and trying again. The computer seems to truly possess aspects of human learning; this goes to the heart of the dream of artificial intelligence. The successes in research have not gone unnoticed by educators, and universities have started to offer courses on the subject. The aim of this book is to provide a comprehensive overview of the field of deep reinforcement learning. The book is written for graduate students of artificial intelligence, and for researchers and practitioners who wish to better understand deep reinforcement learning methods and their challenges. We assume an undergraduate-level of understanding of computer science and artificial intelligence; the programming language of this book is Python. We describe the foundations, the algorithms and the applications of deep reinforcement learning. We cover the established model-free and model-based methods that form the basis of the field. Developments go quickly, and we also cover advanced topics: deep multi-agent reinforcement learning, deep hierarchical reinforcement learning, and deep meta learning.  ( 2 min )

Off-policy evaluation (OPE) in contextual bandits has seen rapid adoption in real-world systems, since it enables offline evaluation of new policies using only historic log data. Unfortunately, when the number of actions is large, existing OPE estimators -- most of which are based on inverse propensity score weighting -- degrade severely and can suffer from extreme bias and variance. This foils the use of OPE in many applications from recommender systems to language models. To overcome this issue, we propose a new OPE estimator that leverages marginalized importance weights when action embeddings provide structure in the action space. We characterize the bias, variance, and mean squared error of the proposed estimator and analyze the conditions under which the action embedding provides statistical benefits over conventional estimators. In addition to the theoretical analysis, we find that the empirical performance improvement can be substantial, enabling reliable OPE even when existing estimators collapse due to a large number of actions.  ( 2 min )

This paper argues that continual learning methods can benefit by splitting the capacity of the learner across multiple models. We use statistical learning theory and experimental analysis to show how multiple tasks can interact with each other in a non-trivial fashion when a single model is trained on them. The generalization error on a particular task can improve when it is trained with synergistic tasks, but can also deteriorate when trained with competing tasks. This theory motivates our method named Model Zoo which, inspired from the boosting literature, grows an ensemble of small models, each of which is trained during one episode of continual learning. We demonstrate that Model Zoo obtains large gains in accuracy on a variety of continual learning benchmark problems. Code is available at https://github.com/grasp-lyrl/modelzoo_continual.  ( 2 min )

Transformers based on the attention mechanism have achieved impressive success in various areas. However, the attention mechanism has a quadratic complexity, significantly impeding Transformers from dealing with numerous tokens and scaling up to bigger models. Previous methods mainly utilize the similarity decomposition and the associativity of matrix multiplication to devise linear-time attention mechanisms. They avoid degeneration of attention to a trivial distribution by reintroducing inductive biases such as the locality, thereby at the expense of model generality and expressiveness. In this paper, we linearize Transformers free from specific inductive biases based on the flow network theory. We cast attention as the information flow aggregated from the sources (values) to the sinks (results) through the learned flow capacities (attentions). Within this framework, we apply the property of flow conservation into attention and propose the Flow-Attention mechanism of linear complexity. By respectively conserving the incoming flow of sinks for source competition and the outgoing flow of sources for sink allocation, Flow-Attention inherently generates informative attentions without using specific inductive biases. Empowered by the Flow-Attention, Flowformer yields strong performance in linear time for wide areas, including long sequence, time series, vision, natural language, and reinforcement learning. The code and settings are available at this repository: https://github.com/thuml/Flowformer.  ( 2 min )

Air pollution monitoring platforms play a very important role in preventing and mitigating the effects of pollution. Recent advances in the field of graph signal processing have made it possible to describe and analyze air pollution monitoring networks using graphs. One of the main applications is the reconstruction of the measured signal in a graph using a subset of sensors. Reconstructing the signal using information from sensor neighbors can help improve the quality of network data, examples are filling in missing data with correlated neighboring nodes, or correcting a drifting sensor with neighboring sensors that are more accurate. This paper compares the use of various types of graph signal reconstruction methods applied to real data sets of Spanish air pollution reference stations. The methods considered are Laplacian interpolation, graph signal processing low-pass based graph signal reconstruction, and kernel-based graph signal reconstruction, and are compared on actual air pollution data sets measuring O3, NO2, and PM10. The ability of the methods to reconstruct the signal of a pollutant is shown, as well as the computational cost of this reconstruction. The results indicate the superiority of methods based on kernel-based graph signal reconstruction, as well as the difficulties of the methods to scale in an air pollution monitoring network with a large number of low-cost sensors. However, we show that scalability can be overcome with simple methods, such as partitioning the network using a clustering algorithm.  ( 2 min )

Although Transformer-based methods have significantly improved state-of-the-art results for long-term series forecasting, they are not only computationally expensive but more importantly, are unable to capture the global view of time series (e.g. overall trend). To address these problems, we propose to combine Transformer with the seasonal-trend decomposition method, in which the decomposition method captures the global profile of time series while Transformers capture more detailed structures. To further enhance the performance of Transformer for long-term prediction, we exploit the fact that most time series tend to have a sparse representation in well-known basis such as Fourier transform, and develop a frequency enhanced Transformer. Besides being more effective, the proposed method, termed as Frequency Enhanced Decomposed Transformer ({\bf FEDformer}), is more efficient than standard Transformer with a linear complexity to the sequence length. Our empirical studies with six benchmark datasets show that compared with state-of-the-art methods, FEDformer can reduce prediction error by $14.8\%$ and $22.6\%$ for multivariate and univariate time series, respectively. Code is publicly available at https://github.com/MAZiqing/FEDformer.  ( 2 min )

We examine the necessity of interpolation in overparameterized models, that is, when achieving optimal predictive risk in machine learning problems requires (nearly) interpolating the training data. In particular, we consider simple overparameterized linear regression $y = X \theta + w$ with random design $X \in \mathbb{R}^{n \times d}$ under the proportional asymptotics $d/n \to \gamma \in (1, \infty)$. We precisely characterize how prediction (test) error necessarily scales with training error in this setting. An implication of this characterization is that as the label noise variance $\sigma^2 \to 0$, any estimator that incurs at least $\mathsf{c}\sigma^4$ training error for some constant $\mathsf{c}$ is necessarily suboptimal and will suffer growth in excess prediction error at least linear in the training error. Thus, optimal performance requires fitting training data to substantially higher accuracy than the inherent noise floor of the problem.  ( 2 min )

The cross-entropy softmax loss is the primary loss function used to train deep neural networks. On the other hand, the focal loss function has been demonstrated to provide improved performance when there is an imbalance in the number of training samples in each class, such as in long-tailed datasets. In this paper, we introduce a novel cyclical focal loss and demonstrate that it is a more universal loss function than cross-entropy softmax loss or focal loss. We describe the intuition behind the cyclical focal loss and our experiments provide evidence that cyclical focal loss provides superior performance for balanced, imbalanced, or long-tailed datasets. We provide numerous experimental results for CIFAR-10/CIFAR-100, ImageNet, balanced and imbalanced 4,000 training sample versions of CIFAR-10/CIFAR-100, and ImageNet-LT and Places-LT from the Open Long-Tailed Recognition (OLTR) challenge. Implementing the cyclical focal loss function requires only a few lines of code and does not increase training time. In the spirit of reproducibility, our code is available at \url{https://github.com/lnsmith54/CFL}.  ( 2 min )

Indirect Time-of-Flight (I-ToF) imaging is a widespread way of depth estimation for mobile devices due to its small size and affordable price. Previous works have mainly focused on quality improvement for I-ToF imaging especially curing the effect of Multi Path Interference (MPI). These investigations are typically done in specifically constrained scenarios at close distance, indoors and under little ambient light. Surprisingly little work has investigated I-ToF quality improvement in real-life scenarios where strong ambient light and far distances pose difficulties due to an extreme amount of induced shot noise and signal sparsity, caused by the attenuation with limited sensor power and light scattering. In this work, we propose a new learning based end-to-end depth prediction network which takes noisy raw I-ToF signals as well as an RGB image and fuses their latent representation based on a multi step approach involving both implicit and explicit alignment to predict a high quality long range depth map aligned to the RGB viewpoint. We test our approach on challenging real-world scenes and show more than 40% RMSE improvement on the final depth map compared to the baseline approach.  ( 2 min )

We propose Continual Repeated Annealed Flow Transport Monte Carlo (CRAFT), a method that combines a sequential Monte Carlo (SMC) sampler (itself a generalization of Annealed Importance Sampling) with variational inference using normalizing flows. The normalizing flows are directly trained to transport between annealing temperatures using a KL divergence for each transition. This optimization objective is itself estimated using the normalizing flow/SMC approximation. We show conceptually and using multiple empirical examples that CRAFT improves on Annealed Flow Transport Monte Carlo (Arbel et al., 2021), on which it builds and also on Markov chain Monte Carlo (MCMC) based Stochastic Normalizing Flows (Wu et al., 2020). By incorporating CRAFT within particle MCMC, we show that such learnt samplers can achieve impressively accurate results on a challenging lattice field theory example.  ( 2 min )

Machine learning has shown extensive growth in recent years and is now routinely applied to sensitive areas. To allow appropriate verification of predictive models before deployment, models must be deterministic. However, major machine learning libraries default to the usage of non-deterministic algorithms based on atomic operations. Solely fixing all random seeds is not sufficient for deterministic machine learning. To overcome this shortcoming, various machine learning libraries released deterministic counterparts to the non-deterministic algorithms. We evaluated the effect of these algorithms on determinism and runtime. Based on these results, we formulated a set of requirements for deterministic machine learning and developed a new software solution, the mlf-core ecosystem, which aids machine learning projects to meet and keep these requirements. We applied mlf-core to develop deterministic models in various biomedical fields including a single cell autoencoder with TensorFlow, a PyTorch-based U-Net model for liver-tumor segmentation in CT scans, and a liver cancer classifier based on gene expression profiles with XGBoost.

We propose Continual Repeated Annealed Flow Transport Monte Carlo (CRAFT), a method that combines a sequential Monte Carlo (SMC) sampler (itself a generalization of Annealed Importance Sampling) with variational inference using normalizing flows. The normalizing flows are directly trained to transport between annealing temperatures using a KL divergence for each transition. This optimization objective is itself estimated using the normalizing flow/SMC approximation. We show conceptually and using multiple empirical examples that CRAFT improves on Annealed Flow Transport Monte Carlo (Arbel et al., 2021), on which it builds and also on Markov chain Monte Carlo (MCMC) based Stochastic Normalizing Flows (Wu et al., 2020). By incorporating CRAFT within particle MCMC, we show that such learnt samplers can achieve impressively accurate results on a challenging lattice field theory example.

In the context of supervised parametric models, we introduce the concept of e-values. An e-value is a scalar quantity that represents the proximity of the sampling distribution of parameter estimates in a model trained on a subset of features to that of the model trained on all features (i.e. the full model). Under general conditions, a rank ordering of e-values separates models that contain all essential features from those that do not. The e-values are applicable to a wide range of parametric models. We use data depths and a fast resampling-based algorithm to implement a feature selection procedure using e-values, providing consistency results. For a $p$-dimensional feature space, this procedure requires fitting only the full model and evaluating $p+1$ models, as opposed to the traditional requirement of fitting and evaluating $2^p$ models. Through experiments across several model settings and synthetic and real datasets, we establish that the e-values method as a promising general alternative to existing model-specific methods of feature selection.

Consider the problem of imputing missing values in a dataset. One the one hand, conventional approaches using iterative imputation benefit from the simplicity and customizability of learning conditional distributions directly, but suffer from the practical requirement for appropriate model specification of each and every variable. On the other hand, recent methods using deep generative modeling benefit from the capacity and efficiency of learning with neural network function approximators, but are often difficult to optimize and rely on stronger data assumptions. In this work, we study an approach that marries the advantages of both: We propose *HyperImpute*, a generalized iterative imputation framework for adaptively and automatically configuring column-wise models and their hyperparameters. Practically, we provide a concrete implementation with out-of-the-box learners, optimizers, simulators, and extensible interfaces. Empirically, we investigate this framework via comprehensive experiments and sensitivities on a variety of public datasets, and demonstrate its ability to generate accurate imputations relative to a strong suite of benchmarks. Contrary to recent work, we believe our findings constitute a strong defense of the iterative imputation paradigm.

The recently developed matrix based Renyi's entropy enables measurement of information in data simply using the eigenspectrum of symmetric positive semi definite (PSD) matrices in reproducing kernel Hilbert space, without estimation of the underlying data distribution. This intriguing property makes the new information measurement widely adopted in multiple statistical inference and learning tasks. However, the computation of such quantity involves the trace operator on a PSD matrix $G$ to power $\alpha$(i.e., $tr(G^\alpha)$), with a normal complexity of nearly $O(n^3)$, which severely hampers its practical usage when the number of samples (i.e., $n$) is large. In this work, we present computationally efficient approximations to this new entropy functional that can reduce its complexity to even significantly less than $O(n^2)$. To this end, we leverage the recent progress on Randomized Numerical Linear Algebra, developing Taylor, Chebyshev and Lanczos approximations to $tr(G^\alpha)$ for arbitrary values of $\alpha$ by converting it into matrix-vector multiplications problem. We also establish the connection between the matrix-based Renyi's entropy and PSD matrix approximation, which enables exploiting both clustering and block low-rank structure of $G$ to further reduce the computational cost. We theoretically provide approximation accuracy guarantees and illustrate the properties of different approximations. Large-scale experimental evaluations on both synthetic and real-world data corroborate our theoretical findings, showing promising speedup with negligible loss in accuracy.

Graph embedding techniques are a staple of modern graph learning research. When using embeddings for downstream tasks such as classification, information about their stability and robustness, i.e., their susceptibility to sources of noise, stochastic effects, or specific parameter choices, becomes increasingly important. As one of the most prominent graph embedding schemes, we focus on node2vec and analyse its embedding quality from multiple perspectives. Our findings indicate that embedding quality is unstable with respect to parameter choices, and we propose strategies to remedy this in practice.

We propose a new Bayesian nonparametric prior for latent feature models, which we call the convergent Indian buffet process (CIBP). We show that under the CIBP, the number of latent features is distributed as a Poisson distribution with the mean monotonically increasing but converging to a certain value as the number of objects goes to infinity. That is, the expected number of features is bounded above even when the number of objects goes to infinity, unlike the standard Indian buffet process under which the expected number of features increases with the number of objects. We provide two alternative representations of the CIBP based on a hierarchical distribution and a completely random measure, respectively, which are of independent interest. The proposed CIBP is assessed on a high-dimensional sparse factor model.

Inferring causal relationships from observational data is rarely straightforward, but the problem is especially difficult in high dimensions. For these applications, causal discovery algorithms typically require parametric restrictions or extreme sparsity constraints. We relax these assumptions and focus on an important but more specialized problem, namely recovering the causal order among a subgraph of variables known to descend from some (possibly large) set of confounding covariates, i.e. a $\textit{confounder blanket}$. This is useful in many settings, for example when studying a dynamic biomolecular subsystem with genetic data providing background information. Under a structural assumption called the $\textit{confounder blanket principle}$, which we argue is essential for tractable causal discovery in high dimensions, our method accommodates graphs of low or high sparsity while maintaining polynomial time complexity. We present a structure learning algorithm that is provably sound and complete with respect to a so-called $\textit{lazy oracle}$. We design inference procedures with finite sample error control for linear and nonlinear systems, and demonstrate our approach on a range of simulated and real-world datasets. An accompanying $\texttt{R}$ package, $\texttt{cbl}$, is available from $\texttt{CRAN}$.

Despite the ubiquity of U-statistics in modern Probability and Statistics, their non-asymptotic analysis in a dependent framework may have been overlooked. In a recent work, a new concentration inequality for U-statistics of order two for uniformly ergodic Markov chains has been proved. In this paper, we put this theoretical breakthrough into action by pushing further the current state of knowledge in three different active fields of research. First, we establish a new exponential inequality for the estimation of spectra of trace class integral operators with MCMC methods. The novelty is that this result holds for kernels with positive and negative eigenvalues, which is new as far as we know. In addition, we investigate generalization performance of online algorithms working with pairwise loss functions and Markov chain samples. We provide an online-to-batch conversion result by showing how we can extract a low risk hypothesis from the sequence of hypotheses generated by any online learner. We finally give a non-asymptotic analysis of a goodness-of-fit test on the density of the invariant measure of a Markov chain. We identify some classes of alternatives over which our test based on the $L_2$ distance has a prescribed power.

We formally map the problem of sampling from an unknown distribution with a density in $\mathbb{R}^d$ to the problem of learning and sampling a smoother density in $\mathbb{R}^{Md}$ obtained by convolution with a fixed factorial kernel: the new density is referred to as M-density and the kernel as multimeasurement noise model (MNM). The M-density in $\mathbb{R}^{Md}$ is smoother than the original density in $\mathbb{R}^d$, easier to learn and sample from, yet for large $M$ the two problems are mathematically equivalent since clean data can be estimated exactly given a multimeasurement noisy observation using the Bayes estimator. To formulate the problem, we derive the Bayes estimator for Poisson and Gaussian MNMs in closed form in terms of the unnormalized M-density. This leads to a simple least-squares objective for learning parametric energy and score functions. We present various parametrization schemes of interest including one in which studying Gaussian M-densities directly leads to multidenoising autoencoders--this is the first theoretical connection made between denoising autoencoders and empirical Bayes in the literature. Samples in $\mathbb{R}^d$ are obtained by walk-jump sampling (Saremi & Hyvarinen, 2019) via underdamped Langevin MCMC (walk) to sample from M-density and the multimeasurement Bayes estimation (jump). We study permutation invariant Gaussian M-densities on MNIST, CIFAR-10, and FFHQ-256 datasets, and demonstrate the effectiveness of this framework for realizing fast-mixing stable Markov chains in high dimensions.

We study the global convergence of policy gradient for infinite-horizon, continuous state and action space, and entropy-regularized Markov decision processes (MDPs). We consider a softmax policy with (one-hidden layer) neural network approximation in a mean-field regime. Additional entropic regularization in the associated mean-field probability measure is added, and the corresponding gradient flow is studied in the 2-Wasserstein metric. We show that the objective function is increasing along the gradient flow. Further, we prove that if the regularization in terms of the mean-field measure is sufficient, the gradient flow converges exponentially fast to the unique stationary solution, which is the unique maximizer of the regularized MDP objective. Lastly, we study the sensitivity of the value function along the gradient flow with respect to regularization parameters and the initial condition. Our results rely on the careful analysis of the non-linear Fokker-Planck-Kolmogorov equation and extend the pioneering work of Mei et al. 2020 and Agarwal et al. 2020, which quantify the global convergence rate of policy gradient for entropy-regularized MDPs in the tabular setting.

There is a recent literature on large-width properties of Gaussian neural networks (NNs), i.e. NNs whose weights are distributed according to Gaussian distributions. Two popular problems are: i) the study of the large-width behaviour of NNs, which provided a characterization of the infinitely wide limit of a rescaled NN in terms of a Gaussian process; ii) the study of the large-width training dynamics of NNs, which set forth an equivalence between training the rescaled NN and performing a kernel regression with a deterministic kernel referred to as the neural tangent kernel (NTK). In this paper, we consider these problems for $\alpha$-Stable NNs, which generalize Gaussian NNs by assuming that the NN's weights are distributed as $\alpha$-Stable distributions with $\alpha\in(0,2]$, i.e. distributions with heavy tails. For shallow $\alpha$-Stable NNs with a ReLU activation function, we show that if the NN's width goes to infinity then a rescaled NN converges weakly to an $\alpha$-Stable process, i.e. a stochastic process with $\alpha$-Stable finite-dimensional distributions. As a novelty with respect to the Gaussian setting, in the $\alpha$-Stable setting the choice of the activation function affects the scaling of the NN, that is: to achieve the infinitely wide $\alpha$-Stable process, the ReLU function requires an additional logarithmic scaling with respect to sub-linear functions. Then, our main contribution is the NTK analysis of shallow $\alpha$-Stable ReLU-NNs, which leads to an equivalence between training a rescaled NN and performing a kernel regression with an $(\alpha/2)$-Stable random kernel. The randomness of such a kernel is a further novelty with respect to the Gaussian setting, that is: in the $\alpha$-Stable setting the randomness of the NN at initialization does not vanish in the NTK analysis, thus inducing a distribution for the kernel of the underlying kernel regression.

Deep learning based forecasting methods have become the methods of choice in many applications of time series prediction or forecasting often outperforming other approaches. Consequently, over the last years, these methods are now ubiquitous in large-scale industrial forecasting applications and have consistently ranked among the best entries in forecasting competitions (e.g., M4 and M5). This practical success has further increased the academic interest to understand and improve deep forecasting methods. In this article we provide an introduction and overview of the field: We present important building blocks for deep forecasting in some depth; using these building blocks, we then survey the breadth of the recent deep forecasting literature.

Despite the success of invariant risk minimization (IRM) in tackling the Out-of-Distribution generalization problem, IRM can compromise the optimality when applied in practice. The practical variants of IRM, e.g., IRMv1, have been shown to have significant gaps with IRM and thus could fail to capture the invariance even in simple problems. Moreover, the optimization procedure in IRMv1 involves two intrinsically conflicting objectives, and often requires careful tuning for the objective weights. To remedy the above issues, we reformulate IRM as a multi-objective optimization problem, and propose a new optimization scheme for IRM, called PAreto Invariant Risk Minimization (PAIR). PAIR can adaptively adjust the optimization direction under the objective conflicts. Furthermore, we show PAIR can empower the practical IRM variants to overcome the barriers with the original IRM when provided with proper guidance. We conduct experiments with ColoredMNIST to confirm our theory and the effectiveness of PAIR.

We propose a novel algorithm for linear contextual bandits with $O(\sqrt{dT \log T})$ regret bound, where $d$ is the dimension of contexts and $T$ is the time horizon. Our proposed algorithm is equipped with a novel estimator in which exploration is embedded through explicit randomization. Depending on the randomization, our proposed estimator takes contribution either from contexts of all arms or from selected contexts. We establish a self-normalized bound for our estimator, which allows a novel decomposition of the cumulative regret into additive dimension-dependent terms instead of multiplicative terms. We also prove a novel lower bound of $\Omega(\sqrt{dT})$ under our problem setting. Hence, the regret of our proposed algorithm matches the lower bound up to logarithmic factors. The numerical experiments support the theoretical guarantees and show that our proposed method outperforms the existing linear bandit algorithms.

Many real world scientific and industrial applications require optimizing multiple competing black-box objectives. When the objectives are expensive-to-evaluate, multi-objective Bayesian optimization (BO) is a popular approach because of its high sample efficiency. However, even with recent methodological advances, most existing multi-objective BO methods perform poorly on search spaces with more than a few dozen parameters and rely on global surrogate models that scale cubically with the number of observations. In this work we propose MORBO, a scalable method for multi-objective BO over high-dimensional search spaces. MORBO identifies diverse globally optimal solutions by performing BO in multiple local regions of the design space in parallel using a coordinated strategy. We show that MORBO significantly advances the state-of-the-art in sample efficiency for several high-dimensional synthetic problems and real world applications, including an optical display design problem and a vehicle design problem with 146 and 222 parameters, respectively. On these problems, where existing BO algorithms fail to scale and perform well, MORBO provides practitioners with order-of-magnitude improvements in sample efficiency over the current approach.

While the application of differential privacy (DP) has been well-studied in cross-device federated learning (FL), there is a lack of work considering DP for cross-silo FL, a setting characterized by a limited number of clients each containing many data subjects. In cross-silo FL, usual notions of client-level privacy are less suitable as real-world privacy regulations typically concern in-silo data subjects rather than the silos themselves. In this work, we instead consider the more realistic notion of silo-specific item-level privacy, where silos set their own privacy targets for their local examples. Under this setting, we reconsider the roles of personalization in federated learning. In particular, we show that mean-regularized multi-task learning (MR-MTL), a simple personalization framework, is a strong baseline for cross-silo FL: under stronger privacy, silos are further incentivized to "federate" with each other to mitigate DP noise, resulting in consistent improvements relative to standard baseline methods. We provide a thorough empirical study of competing methods as well as a theoretical characterization of MR-MTL for a mean estimation problem, highlighting the interplay between privacy and cross-silo data heterogeneity. Our work serves to establish baselines for private cross-silo FL as well as identify key directions of future work in this area.

A common theme in causal inference is learning causal relationships between observed variables, also known as causal discovery. This is usually a daunting task, given the large number of candidate causal graphs and the combinatorial nature of the search space. Perhaps for this reason, most research has so far focused on relatively small causal graphs, with up to hundreds of nodes. However, recent advances in fields like biology enable generating experimental data sets with thousands of interventions followed by rich profiling of thousands of variables, raising the opportunity and urgent need for large causal graph models. Here, we introduce the notion of factor directed acyclic graphs (f-DAGs) as a way to restrict the search space to non-linear low-rank causal interaction models. Combining this novel structural assumption with recent advances that bridge the gap between causal discovery and continuous optimization, we achieve causal discovery on thousands of variables. Additionally, as a model for the impact of statistical noise on this estimation procedure, we study a model of edge perturbations of the f-DAG skeleton based on random graphs and quantify the effect of such perturbations on the f-DAG rank. This theoretical analysis suggests that the set of candidate f-DAGs is much smaller than the whole DAG space and thus more statistically robust in the high-dimensional regime where the underlying skeleton is hard to assess. We propose Differentiable Causal Discovery of Factor Graphs (DCD-FG), a scalable implementation of f-DAG constrained causal discovery for high-dimensional interventional data. DCD-FG uses a Gaussian non-linear low-rank structural equation model and shows significant improvements compared to state-of-the-art methods in both simulations as well as a recent large-scale single-cell RNA sequencing data set with hundreds of genetic interventions.

We consider off-policy evaluation (OPE) in Partially Observable Markov Decision Processes (POMDPs), where the evaluation policy depends only on observable variables and the behavior policy depends on unobservable latent variables. Existing works either assume no unmeasured confounders, or focus on settings where both the observation and the state spaces are tabular. In this work, we first propose novel identification methods for OPE in POMDPs with latent confounders, by introducing bridge functions that link the target policy's value and the observed data distribution. We next propose minimax estimation methods for learning these bridge functions, and construct three estimators based on these estimated bridge functions, corresponding to a value function-based estimator, a marginalized importance sampling estimator, and a doubly-robust estimator. Our proposal permits general function approximation and is thus applicable to settings with continuous or large observation/state spaces. The nonasymptotic and asymptotic properties of the proposed estimators are investigated in detail.

Bayesian Optimization (BO) has shown great promise for the global optimization of functions that are expensive to evaluate, but despite many successes, standard approaches can struggle in high dimensions. To improve the performance of BO, prior work suggested incorporating gradient information into a Gaussian process surrogate of the objective, giving rise to kernel matrices of size $nd \times nd$ for $n$ observations in $d$ dimensions. Na\"ively multiplying with (resp. inverting) these matrices requires $\mathcal{O}(n^2d^2)$ (resp. $\mathcal{O}(n^3d^3$)) operations, which becomes infeasible for moderate dimensions and sample sizes. Here, we observe that a wide range of kernels gives rise to structured matrices, enabling an exact $\mathcal{O}(n^2d)$ matrix-vector multiply for gradient observations and $\mathcal{O}(n^2d^2)$ for Hessian observations. Beyond canonical kernel classes, we derive a programmatic approach to leveraging this type of structure for transformations and combinations of the discussed kernel classes, which constitutes a structure-aware automatic differentiation algorithm. Our methods apply to virtually all canonical kernels and automatically extend to complex kernels, like the neural network, radial basis function network, and spectral mixture kernels without any additional derivations, enabling flexible, problem-dependent modeling while scaling first-order BO to high $d$.

Off-policy evaluation (OPE) in contextual bandits has seen rapid adoption in real-world systems, since it enables offline evaluation of new policies using only historic log data. Unfortunately, when the number of actions is large, existing OPE estimators -- most of which are based on inverse propensity score weighting -- degrade severely and can suffer from extreme bias and variance. This foils the use of OPE in many applications from recommender systems to language models. To overcome this issue, we propose a new OPE estimator that leverages marginalized importance weights when action embeddings provide structure in the action space. We characterize the bias, variance, and mean squared error of the proposed estimator and analyze the conditions under which the action embedding provides statistical benefits over conventional estimators. In addition to the theoretical analysis, we find that the empirical performance improvement can be substantial, enabling reliable OPE even when existing estimators collapse due to a large number of actions.

Understanding how feature learning affects generalization is among the foremost goals of modern deep learning theory. Here, we study how the ability to learn representations affects the generalization performance of a simple class of models: deep Bayesian linear neural networks trained on unstructured Gaussian data. By comparing deep random feature models to deep networks in which all layers are trained, we provide a detailed characterization of the interplay between width, depth, data density, and prior mismatch. We show that both models display sample-wise double-descent behavior in the presence of label noise. Random feature models can also display model-wise double-descent if there are narrow bottleneck layers, while deep networks do not show these divergences. Random feature models can have particular widths that are optimal for generalization at a given data density, while making neural networks as wide or as narrow as possible is always optimal. Moreover, we show that the leading-order correction to the kernel-limit learning curve cannot distinguish between random feature models and deep networks in which all layers are trained. Taken together, our findings begin to elucidate how architectural details affect generalization performance in this simple class of deep regression models.

Active learning (AL) is a promising ML paradigm that has the potential to parse through large unlabeled data and help reduce annotation cost in domains where labeling data can be prohibitive. Recently proposed neural network based AL methods use different heuristics to accomplish this goal. In this study, we demonstrate that under identical experimental settings, different types of AL algorithms (uncertainty based, diversity based, and committee based) produce an inconsistent gain over random sampling baseline. Through a variety of experiments, controlling for sources of stochasticity, we show that variance in performance metrics achieved by AL algorithms can lead to results that are not consistent with the previously reported results. We also found that under strong regularization, AL methods show marginal or no advantage over the random sampling baseline under a variety of experimental conditions. Finally, we conclude with a set of recommendations on how to assess the results using a new AL algorithm to ensure results are reproducible and robust under changes in experimental conditions. We share our codes to facilitate AL evaluations. We believe our findings and recommendations will help advance reproducible research in AL using neural networks. We open source our code at https://github.com/PrateekMunjal/TorchAL

This paper describes the principle of "General Cyclical Training" in machine learning, where training starts and ends with "easy training" and the "hard training" happens during the middle epochs. We propose several manifestations for training neural networks, including algorithmic examples (via hyper-parameters and loss functions), data-based examples, and model-based examples. Specifically, we introduce several novel techniques: cyclical weight decay, cyclical batch size, cyclical focal loss, cyclical softmax temperature, cyclical data augmentation, cyclical gradient clipping, and cyclical semi-supervised learning. In addition, we demonstrate that cyclical weight decay, cyclical softmax temperature, and cyclical gradient clipping (as three examples of this principle) are beneficial in the test accuracy performance of a trained model. Furthermore, we discuss model-based examples (such as pretraining and knowledge distillation) from the perspective of general cyclical training and recommend some changes to the typical training methodology. In summary, this paper defines the general cyclical training concept and discusses several specific ways in which this concept can be applied to training neural networks. In the spirit of reproducibility, the code used in our experiments is available at \url{https://github.com/lnsmith54/CFL}.

Multi-task Gaussian process (MTGP) is a well-known non-parametric Bayesian model for learning correlated tasks effectively by transferring knowledge across tasks. But current MTGPs are usually limited to the multi-task scenario defined in the same input domain, leaving no space for tackling the heterogeneous case, i.e., the features of input domains vary over tasks. To this end, this paper presents a novel heterogeneous stochastic variational linear model of coregionalization (\texttt{HSVLMC}) model for simultaneously learning the tasks with varied input domains. Particularly, we develop the stochastic variational framework with Bayesian calibration that (i) takes into account the effect of dimensionality reduction raised by domain mappings in order to achieve effective input alignment; and (ii) employs a residual modeling strategy to leverage the inductive bias brought by prior domain mappings for better model inference. Finally, the superiority of the proposed model against existing LMC models has been extensively verified on diverse heterogeneous multi-task cases and a practical multi-fidelity steam turbine exhaust problem.

Differential Privacy (DP) provides a formal privacy guarantee preventing adversaries with access to a machine learning model from extracting information about individual training points. Differentially Private Stochastic Gradient Descent (DP-SGD), the most popular DP training method for deep learning, realizes this protection by injecting noise during training. However previous works have found that DP-SGD often leads to a significant degradation in performance on standard image classification benchmarks. Furthermore, some authors have postulated that DP-SGD inherently performs poorly on large models, since the norm of the noise required to preserve privacy is proportional to the model dimension. In contrast, we demonstrate that DP-SGD on over-parameterized models can perform significantly better than previously thought. Combining careful hyper-parameter tuning with simple techniques to ensure signal propagation and improve the convergence rate, we obtain a new SOTA without extra data on CIFAR-10 of 81.4% under (8, 10^{-5})-DP using a 40-layer Wide-ResNet, improving over the previous SOTA of 71.7%. When fine-tuning a pre-trained NFNet-F3, we achieve a remarkable 83.8% top-1 accuracy on ImageNet under (0.5, 8*10^{-7})-DP. Additionally, we also achieve 86.7% top-1 accuracy under (8, 8 \cdot 10^{-7})-DP, which is just 4.3% below the current non-private SOTA for this task. We believe our results are a significant step towards closing the accuracy gap between private and non-private image classification.

Mobile health apps are revolutionizing the healthcare ecosystem by improving communication, efficiency, and quality of service. In low- and middle-income countries, they also play a unique role as a source of information about health outcomes and behaviors of patients and healthcare workers, while providing a suitable channel to deliver both personalized and collective policy interventions. We propose a framework to study user engagement with mobile health, focusing on healthcare workers and digital health apps designed to support them in resource-poor settings. The behavioral logs produced by these apps can be transformed into daily time series characterizing each user's activity. We use probabilistic and survival analysis to build multiple personalized measures of meaningful engagement, which could serve to tailor content and digital interventions suiting each health worker's specific needs. Special attention is given to the problem of detecting churn, understood as a marker of complete disengagement. We discuss the application of our methods to the Indian and Ethiopian users of the Safe Delivery App, a capacity-building tool for skilled birth attendants. This work represents an important step towards a full characterization of user engagement in mobile health applications, which can significantly enhance the abilities of health workers and, ultimately, save lives.

Score-based generative models have excellent performance in terms of generation quality and likelihood. They model the data distribution by matching a parameterized score network with first-order data score functions. The score network can be used to define an ODE ("score-based diffusion ODE") for exact likelihood evaluation. However, the relationship between the likelihood of the ODE and the score matching objective is unclear. In this work, we prove that matching the first-order score is not sufficient to maximize the likelihood of the ODE, by showing a gap between the maximum likelihood and score matching objectives. To fill up this gap, we show that the negative likelihood of the ODE can be bounded by controlling the first, second, and third-order score matching errors; and we further present a novel high-order denoising score matching method to enable maximum likelihood training of score-based diffusion ODEs. Our algorithm guarantees that the higher-order matching error is bounded by the training error and the lower-order errors. We empirically observe that by high-order score matching, score-based diffusion ODEs achieve better likelihood on both synthetic data and CIFAR-10, while retaining the high generation quality.

We propose to use techniques from Bayesian inference and deep neural networks to translate uncertainty in seismic imaging to uncertainty in tasks performed on the image, such as horizon tracking. Seismic imaging is an ill-posed inverse problem because of bandwidth and aperture limitations, which is hampered by the presence of noise and linearization errors. Many regularization methods, such as transform-domain sparsity promotion, have been designed to deal with the adverse effects of these errors, however, these methods run the risk of biasing the solution and do not provide information on uncertainty in the image space and how this uncertainty impacts certain tasks on the image. A systematic approach is proposed to translate uncertainty due to noise in the data to confidence intervals of automatically tracked horizons in the image. The uncertainty is characterized by a convolutional neural network (CNN) and to assess these uncertainties, samples are drawn from the posterior distribution of the CNN weights, used to parameterize the image. Compared to traditional priors, it is argued in the literature that these CNNs introduce a flexible inductive bias that is a surprisingly good fit for a diverse set of problems. The method of stochastic gradient Langevin dynamics is employed to sample from the posterior distribution. This method is designed to handle large scale Bayesian inference problems with computationally expensive forward operators as in seismic imaging. Aside from offering a robust alternative to maximum a posteriori estimate that is prone to overfitting, access to these samples allow us to translate uncertainty in the image, due to noise in the data, to uncertainty on the tracked horizons. For instance, it admits estimates for the pointwise standard deviation on the image and for confidence intervals on its automatically tracked horizons.

Reconstructing medical images from partial measurements is an important inverse problem in Computed Tomography (CT) and Magnetic Resonance Imaging (MRI). Existing solutions based on machine learning typically train a model to directly map measurements to medical images, leveraging a training dataset of paired images and measurements. These measurements are typically synthesized from images using a fixed physical model of the measurement process, which hinders the generalization capability of models to unknown measurement processes. To address this issue, we propose a fully unsupervised technique for inverse problem solving, leveraging the recently introduced score-based generative models. Specifically, we first train a score-based generative model on medical images to capture their prior distribution. Given measurements and a physical model of the measurement process at test time, we introduce a sampling method to reconstruct an image consistent with both the prior and the observed measurements. Our method does not assume a fixed measurement process during training, and can thus be flexibly adapted to different measurement processes at test time. Empirically, we observe comparable or better performance to supervised learning techniques in several medical imaging tasks in CT and MRI, while demonstrating significantly better generalization to unknown measurement processes.

In bandit with distribution shifts, one aims to automatically adapt to unknown changes in reward distribution, and restart exploration when necessary. While this problem has been studied for many years, a recent breakthrough of Auer et al. (2018, 2019) provides the first adaptive procedure to guarantee an optimal (dynamic) regret $\sqrt{LT}$, for $T$ rounds, and an unknown number $L$ of changes. However, while this rate is tight in the worst case, it remained open whether faster rates are possible, without prior knowledge, if few changes in distribution are actually severe. To resolve this question, we propose a new notion of significant shift, which only counts very severe changes that clearly necessitate a restart: roughly, these are changes involving not only best arm switches, but also involving large aggregate differences in reward overtime. Thus, our resulting procedure adaptively achieves rates always faster (sometimes significantly) than $O(\sqrt{ST})$, where $S\ll L$ only counts best arm switches, while at the same time, always faster than the optimal $O(V^{\frac{1}{3}}T^{\frac{2}{3}})$ when expressed in terms of total variation $V$ (which aggregates differences overtime). Our results are expressed in enough generality to also capture non-stochastic adversarial settings.

We examine the necessity of interpolation in overparameterized models, that is, when achieving optimal predictive risk in machine learning problems requires (nearly) interpolating the training data. In particular, we consider simple overparameterized linear regression $y = X \theta + w$ with random design $X \in \mathbb{R}^{n \times d}$ under the proportional asymptotics $d/n \to \gamma \in (1, \infty)$. We precisely characterize how prediction (test) error necessarily scales with training error in this setting. An implication of this characterization is that as the label noise variance $\sigma^2 \to 0$, any estimator that incurs at least $\mathsf{c}\sigma^4$ training error for some constant $\mathsf{c}$ is necessarily suboptimal and will suffer growth in excess prediction error at least linear in the training error. Thus, optimal performance requires fitting training data to substantially higher accuracy than the inherent noise floor of the problem.

In recent years, deep generative models have attracted increasing interest due to their capacity to model complex distributions. Among those models, variational autoencoders have gained popularity as they have proven both to be computationally efficient and yield impressive results in multiple fields. Following this breakthrough, extensive research has been done in order to improve the original publication, resulting in a variety of different VAE models in response to different tasks. In this paper we present Pythae, a versatile open-source Python library providing both a unified implementation and a dedicated framework allowing straightforward, reproducible and reliable use of generative autoencoder models. We then propose to use this library to perform a case study benchmark where we present and compare 19 generative autoencoder models representative of some of the main improvements on downstream tasks such as image reconstruction, generation, classification, clustering and interpolation. The open-source library can be found at https://github.com/clementchadebec/benchmark_VAE.

Accurately estimating personalized treatment effects within a study site (e.g., a hospital) has been challenging due to limited sample size. Furthermore, privacy considerations and lack of resources prevent a site from leveraging subject-level data from other sites. We propose a tree-based model averaging approach to improve the estimation accuracy of conditional average treatment effects (CATE) at a target site by leveraging models derived from other potentially heterogeneous sites, without them sharing subject-level data. To our best knowledge, there is no established model averaging approach for distributed data with a focus on improving the estimation of treatment effects. Specifically, under distributed data networks, our framework provides an interpretable tree-based ensemble of CATE estimators that joins models across study sites, while actively modeling the heterogeneity in data sources through site partitioning. The performance of this approach is demonstrated by a real-world study of the causal effects of oxygen therapy on hospital survival rate and backed up by comprehensive simulation results.

Making classifiers robust to adversarial examples is hard. Thus, many defenses tackle the seemingly easier task of detecting perturbed inputs. We show a barrier towards this goal. We prove a general hardness reduction between detection and classification of adversarial examples: given a robust detector for attacks at distance {\epsilon} (in some metric), we can build a similarly robust (but inefficient) classifier for attacks at distance {\epsilon}/2. Our reduction is computationally inefficient, and thus cannot be used to build practical classifiers. Instead, it is a useful sanity check to test whether empirical detection results imply something much stronger than the authors presumably anticipated. To illustrate, we revisit 13 detector defenses. For 11/13 cases, we show that the claimed detection results would imply an inefficient classifier with robustness far beyond the state-of-the-art.

We present the Local Self-Balancing sampler (LSB), a local Markov Chain Monte Carlo (MCMC) method for sampling in purely discrete domains, which is able to autonomously adapt to the target distribution and to reduce the number of target evaluations required to converge. LSB is based on (i) a parametrization of locally balanced proposals, (ii) a newly proposed objective function based on mutual information and (iii) a self-balancing learning procedure, which minimises the proposed objective to update the proposal parameters. Experiments on energy-based models and Markov networks show that LSB converges using a smaller number of queries to the oracle distribution compared to recent local MCMC samplers.

We propose a new conditional dependence measure and a statistical test for conditional independence. The measure is based on the difference between analytic kernel embeddings of two well-suited distributions evaluated at a finite set of locations. We obtain its asymptotic distribution under the null hypothesis of conditional independence and design a consistent statistical test from it. We conduct a series of experiments showing that our new test outperforms state-of-the-art methods both in terms of type-I and type-II errors even in the high dimensional setting.